N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one

C116H123N35O11 — CID 159803412

About N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one

N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one (PubChem CID 159803412) has the molecular formula C116H123N35O11 and a molecular weight of 2183.49 g/mol. Its IUPAC name is N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one
• PubChem CID: 159803412
• Molecular Formula: C116H123N35O11
• Molecular Weight: 2183.49 g/mol
• Exact Mass: 2182.01
• IUPAC Name: N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one
• SMILES: C=CC(=C)Nc1cccc(-n2cc(Nc3cn(C)nc3OC)c3nc[nH]c3c2=O)c1.C=CC(=C)Nc1cccc(-n2cc(Nc3cn(C)nc3OC)c3ncn(C(C)C)c3c2=O)c1.C=CC(=C)Nc1cccc(-n2cc(Nc3cn(C)nc3OC)c3ncn(C)c3c2=O)c1.C=CC(=C)Nc1cccc(-n2cc(Nc3cn(C)nc3OC)c3ncn(CC)c3c2=O)c1.C=CC(=O)Nc1cccc(Cn2cc(Nc3cn(C)nc3OC)c3ncn(C45CC(C4)C5)c3c2=O)c1
• InChI: InChI=1S/C26H27N7O3.C24H27N7O2.C23H25N7O2.C22H23N7O2.C21H21N7O2/c1-4-21(34)28-18-7-5-6-16(8-18)12-32-14-19(29-20-13-31(2)30-24(20)36-3)22-23(25(32)35)33(15-27-22)26-9-17(10-26)11-26;1-7-16(4)26-17-9-8-10-18(11-17)30-13-19(27-20-12-29(5)28-23(20)33-6)21-22(24(30)32)31(14-25-21)15(2)3;1-6-15(3)25-16-9-8-10-17(11-16)30-13-18(26-19-12-28(4)27-22(19)32-5)20-21(23(30)31)29(7-2)14-24-20;1-6-14(2)24-15-8-7-9-16(10-15)29-12-17(19-20(22(29)30)27(3)13-23-19)25-18-11-28(4)26-21(18)31-5;1-5-13(2)24-14-7-6-8-15(9-14)28-11-16(18-19(21(28)29)23-12-22-18)25-17-10-27(3)26-20(17)30-4/h4-8,13-15,17,29H,1,9-12H2,2-3H3,(H,28,34);7-15,26-27H,1,4H2,2-3,5-6H3;6,8-14,25-26H,1,3,7H2,2,4-5H3;6-13,24-25H,1-2H2,3-5H3;5-12,24-25H,1-2H2,3-4H3,(H,22,23)
• InChIKey: NKBRAYVRPWQCCY-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 482.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 38
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2183.49
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one?

The IUPAC name of N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one (CID 159803412) is N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one.

What is the SMILES notation for N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one?

The canonical SMILES for N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one is C=CC(=C)Nc1cccc(-n2cc(Nc3cn(C)nc3OC)c3nc[nH]c3c2=O)c1.C=CC(=C)Nc1cccc(-n2cc(Nc3cn(C)nc3OC)c3ncn(C(C)C)c3c2=O)c1.C=CC(=C)Nc1cccc(-n2cc(Nc3cn(C)nc3OC)c3ncn(C)c3c2=O)c1.C=CC(=C)Nc1cccc(-n2cc(Nc3cn(C)nc3OC)c3ncn(CC)c3c2=O)c1.C=CC(=O)Nc1cccc(Cn2cc(Nc3cn(C)nc3OC)c3ncn(C45CC(C4)C5)c3c2=O)c1.

What is the InChIKey of N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one?

The InChIKey is NKBRAYVRPWQCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3.C24H27N7O2.C23H25N7O2.C22H23N7O2.C21H21N7O2/c1-4-21(34)28-18-7-5-6-16(8-18)12-32-14-19(29-20-13-31(2)30-24(20)36-3)22-23(25(32)35)33(15-27-22)26-9-17(10-26)11-26;1-7-16(4)26-17-9-8-10-18(11-17)30-13-19(27-20-12-29(5)28-23(20)33-6)21-22(24(30)32)31(14-25-21)15(2)3;1-6-15(3)25-16-9-8-10-17(11-16)30-13-18(26-19-12-28(4)27-22(19)32-5)20-21(23(30)31)29(7-2)14-24-20;1-6-14(2)24-15-8-7-9-16(10-15)29-12-17(19-20(22(29)30)27(3)13-23-19)25-18-11-28(4)26-21(18)31-5;1-5-13(2)24-14-7-6-8-15(9-14)28-11-16(18-19(21(28)29)23-12-22-18)25-17-10-27(3)26-20(17)30-4/h4-8,13-15,17,29H,1,9-12H2,2-3H3,(H,28,34);7-15,26-27H,1,4H2,2-3,5-6H3;6,8-14,25-26H,1,3,7H2,2,4-5H3;6-13,24-25H,1-2H2,3-5H3;5-12,24-25H,1-2H2,3-4H3,(H,22,23).

What are the key properties of N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one?

N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one has a molecular weight of 2183.49 g/mol, XLogP of 18.17, 38 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 159803412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).