cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C119H156N24O7S — CID 159472142

IUPACcyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.COc1ccc2cccnc2c1N1CCCN(C(CC(N)=O)c2csc(N3CCN(C(C)C)CC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(c2ccn(-c3ccccc3)n2)C(C)(C)C(N)=O)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C35H45N7O.C29H34N6O2.C28H39N7O2S.C27H38N4O2/c1-27(2)29-24-28-10-8-14-37-35(28)33(25-29)41-19-9-18-40(22-23-41)32(26-34(43)36-15-21-39-16-6-7-17-39)31-13-20-42(38-31)30-11-4-3-5-12-30;1-29(2,28(30)36)27(23-14-18-35(32-23)22-10-5-4-6-11-22)34-17-8-16-33(19-20-34)26-24(37-3)13-12-21-9-7-15-31-25(21)26;1-20(2)32-12-16-35(17-13-32)28-31-22(19-38-28)23(18-25(29)36)33-10-5-11-34(15-14-33)27-24(37-3)8-7-21-6-4-9-30-26(21)27;1-33-24-10-9-22-8-4-13-28-25(22)26(24)30-15-5-14-29(18-19-30)20-21-11-16-31(17-12-21)27(32)23-6-2-3-7-23/h3-5,8,10-14,20,24-25,27,32H,6-7,9,15-19,21-23,26H2,1-2H3,(H,36,43);4-7,9-15,18,27H,8,16-17,19-20H2,1-3H3,(H2,30,36);4,6-9,19-20,23H,5,10-18H2,1-3H3,(H2,29,36);4,8-10,13,21,23H,2-3,5-7,11-12,14-20H2,1H3
InChIKeyLVYARTLAXIDTPT-UHFFFAOYSA-N
MW2066.78 g/mol
LogP17.14
Rot. Bonds30

About cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 159472142) has the molecular formula C119H156N24O7S and a molecular weight of 2066.78 g/mol. Its IUPAC name is cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Namecyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID159472142
Molecular FormulaC119H156N24O7S
Molecular Weight2066.78 g/mol
Exact Mass2065.23
IUPAC Namecyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.COc1ccc2cccnc2c1N1CCCN(C(CC(N)=O)c2csc(N3CCN(C(C)C)CC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(c2ccn(-c3ccccc3)n2)C(C)(C)C(N)=O)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C35H45N7O.C29H34N6O2.C28H39N7O2S.C27H38N4O2/c1-27(2)29-24-28-10-8-14-37-35(28)33(25-29)41-19-9-18-40(22-23-41)32(26-34(43)36-15-21-39-16-6-7-17-39)31-13-20-42(38-31)30-11-4-3-5-12-30;1-29(2,28(30)36)27(23-14-18-35(32-23)22-10-5-4-6-11-22)34-17-8-16-33(19-20-34)26-24(37-3)13-12-21-9-7-15-31-25(21)26;1-20(2)32-12-16-35(17-13-32)28-31-22(19-38-28)23(18-25(29)36)33-10-5-11-34(15-14-33)27-24(37-3)8-7-21-6-4-9-30-26(21)27;1-33-24-10-9-22-8-4-13-28-25(22)26(24)30-15-5-14-29(18-19-30)20-21-11-16-31(17-12-21)27(32)23-6-2-3-7-23/h3-5,8,10-14,20,24-25,27,32H,6-7,9,15-19,21-23,26H2,1-2H3,(H,36,43);4-7,9-15,18,27H,8,16-17,19-20H2,1-3H3,(H2,30,36);4,6-9,19-20,23H,5,10-18H2,1-3H3,(H2,29,36);4,8-10,13,21,23H,2-3,5-7,11-12,14-20H2,1H3
InChIKeyLVYARTLAXIDTPT-UHFFFAOYSA-N
XLogP17.14
TPSA299.01 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.78
LogP ≤ 517.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 159472142) is cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is CC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.COc1ccc2cccnc2c1N1CCCN(C(CC(N)=O)c2csc(N3CCN(C(C)C)CC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(c2ccn(-c3ccccc3)n2)C(C)(C)C(N)=O)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCC3)CC2)CC1.
What is the InChIKey of cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is LVYARTLAXIDTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N7O.C29H34N6O2.C28H39N7O2S.C27H38N4O2/c1-27(2)29-24-28-10-8-14-37-35(28)33(25-29)41-19-9-18-40(22-23-41)32(26-34(43)36-15-21-39-16-6-7-17-39)31-13-20-42(38-31)30-11-4-3-5-12-30;1-29(2,28(30)36)27(23-14-18-35(32-23)22-10-5-4-6-11-22)34-17-8-16-33(19-20-34)26-24(37-3)13-12-21-9-7-15-31-25(21)26;1-20(2)32-12-16-35(17-13-32)28-31-22(19-38-28)23(18-25(29)36)33-10-5-11-34(15-14-33)27-24(37-3)8-7-21-6-4-9-30-26(21)27;1-33-24-10-9-22-8-4-13-28-25(22)26(24)30-15-5-14-29(18-19-30)20-21-11-16-31(17-12-21)27(32)23-6-2-3-7-23/h3-5,8,10-14,20,24-25,27,32H,6-7,9,15-19,21-23,26H2,1-2H3,(H,36,43);4-7,9-15,18,27H,8,16-17,19-20H2,1-3H3,(H2,30,36);4,6-9,19-20,23H,5,10-18H2,1-3H3,(H2,29,36);4,8-10,13,21,23H,2-3,5-7,11-12,14-20H2,1H3.
What are the key properties of cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 2066.78 g/mol, XLogP of 17.14, 30 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanamide;3-(1-phenylpyrazol-3-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 159472142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).