N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone

C121H160Cl4F3N29O14S4 — CID 159419019

About N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone

N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone (PubChem CID 159419019) has the molecular formula C121H160Cl4F3N29O14S4 and a molecular weight of 2571.87 g/mol. Its IUPAC name is N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone.

Molecular Properties

• Compound Name: N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
• PubChem CID: 159419019
• Molecular Formula: C121H160Cl4F3N29O14S4
• Molecular Weight: 2571.87 g/mol
• Exact Mass: 2568.03
• IUPAC Name: N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
• SMILES: C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)C[C@@H]2C)n1.CN(Cc1ccc(Cl)c(N2CCC(F)CC2)c1)C1CCN(C(=O)n2ccc(NS(C)(=O)=O)n2)CC1.CS(=O)(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(Cl)cc3N3CC4COCC4C3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(Cl)cc3N3CCC(F)CC3)CC2)n1.C[C@@H]1CN(C(=O)n2ccc(NS(C)(=O)=O)n2)CCN1Cc1ccc(Cl)c(N2CC[C@H](F)C2)c1
• InChI: InChI=1S/C26H35ClN6O4S.C26H31N5O.C25H34ClFN6O3S.C23H32ClFN6O3S.C21H28ClFN6O3S/c1-38(35,36)29-24-5-10-33(28-24)25(34)30-11-7-26(8-12-30)6-2-9-32(26)16-19-3-4-22(27)13-23(19)31-14-20-17-37-18-21(20)15-31;1-19(2)27-25-12-13-31(28-25)26(32)30-15-14-29(17-21(30)4)18-24-11-10-23(16-20(24)3)22-8-6-5-7-9-22;1-37(35,36)29-23-7-14-33(28-23)24(34)31-15-9-25(10-16-31)8-2-11-32(25)18-19-3-4-20(26)17-22(19)30-12-5-21(27)6-13-30;1-28(16-17-3-4-20(24)21(15-17)29-10-5-18(25)6-11-29)19-7-12-30(13-8-19)23(32)31-14-9-22(26-31)27-35(2,33)34;1-15-12-28(21(30)29-8-6-20(24-29)25-33(2,31)32)10-9-26(15)13-16-3-4-18(22)19(11-16)27-7-5-17(23)14-27/h3-5,10,13,20-21H,2,6-9,11-12,14-18H2,1H3,(H,28,29);5-13,16,21H,1,14-15,17-18H2,2-4H3,(H,27,28);3-4,7,14,17,21H,2,5-6,8-13,15-16,18H2,1H3,(H,28,29);3-4,9,14-15,18-19H,5-8,10-13,16H2,1-2H3,(H,26,27);3-4,6,8,11,15,17H,5,7,9-10,12-14H2,1-2H3,(H,24,25)/t;21-;;;15-,17+/m.0..1/s1
• InChIKey: LPNJXEBWJRGQGO-YPVDBMDLSA-N
• XLogP: 18.05
• TPSA: 425.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2571.87
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?

The IUPAC name of N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone (CID 159419019) is N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone.

What is the SMILES notation for N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?

The canonical SMILES for N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone is C=C(C)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)C[C@@H]2C)n1.CN(Cc1ccc(Cl)c(N2CCC(F)CC2)c1)C1CCN(C(=O)n2ccc(NS(C)(=O)=O)n2)CC1.CS(=O)(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(Cl)cc3N3CC4COCC4C3)CC2)n1.CS(=O)(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(Cl)cc3N3CCC(F)CC3)CC2)n1.C[C@@H]1CN(C(=O)n2ccc(NS(C)(=O)=O)n2)CCN1Cc1ccc(Cl)c(N2CC[C@H](F)C2)c1.

What is the InChIKey of N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?

The InChIKey is LPNJXEBWJRGQGO-YPVDBMDLSA-N. The full InChI is InChI=1S/C26H35ClN6O4S.C26H31N5O.C25H34ClFN6O3S.C23H32ClFN6O3S.C21H28ClFN6O3S/c1-38(35,36)29-24-5-10-33(28-24)25(34)30-11-7-26(8-12-30)6-2-9-32(26)16-19-3-4-22(27)13-23(19)31-14-20-17-37-18-21(20)15-31;1-19(2)27-25-12-13-31(28-25)26(32)30-15-14-29(17-21(30)4)18-24-11-10-23(16-20(24)3)22-8-6-5-7-9-22;1-37(35,36)29-23-7-14-33(28-23)24(34)31-15-9-25(10-16-31)8-2-11-32(25)18-19-3-4-20(26)17-22(19)30-12-5-21(27)6-13-30;1-28(16-17-3-4-20(24)21(15-17)29-10-5-18(25)6-11-29)19-7-12-30(13-8-19)23(32)31-14-9-22(26-31)27-35(2,33)34;1-15-12-28(21(30)29-8-6-20(24-29)25-33(2,31)32)10-9-26(15)13-16-3-4-18(22)19(11-16)27-7-5-17(23)14-27/h3-5,10,13,20-21H,2,6-9,11-12,14-18H2,1H3,(H,28,29);5-13,16,21H,1,14-15,17-18H2,2-4H3,(H,27,28);3-4,7,14,17,21H,2,5-6,8-13,15-16,18H2,1H3,(H,28,29);3-4,9,14-15,18-19H,5-8,10-13,16H2,1-2H3,(H,26,27);3-4,6,8,11,15,17H,5,7,9-10,12-14H2,1-2H3,(H,24,25)/t;21-;;;15-,17+/m.0..1/s1.

What are the key properties of N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone?

N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone has a molecular weight of 2571.87 g/mol, XLogP of 18.05, 26 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[1-[[4-chloro-2-(4-fluoropiperidin-1-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[4-[[4-chloro-3-(4-fluoropiperidin-1-yl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;N-[1-[(3R)-4-[[4-chloro-3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]methyl]-3-methylpiperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide;[(2S)-2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone is sourced from PubChem (CID 159419019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).