N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate

C97H102N22O11 — CID 160962058

About N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate

N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate (PubChem CID 160962058) has the molecular formula C97H102N22O11 and a molecular weight of 1752.03 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate
• PubChem CID: 160962058
• Molecular Formula: C97H102N22O11
• Molecular Weight: 1752.03 g/mol
• Exact Mass: 1750.81
• IUPAC Name: N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate
• SMILES: CN(C)C(=O)c1ccnc(C2=NCc3ccnc(NC4CCOCC4)c32)c1.COc1ccc(Cn2nc(-c3cc(C(=O)N(C)C)ccn3)c3c(NC4CCOCC4)nccc32)cc1.COc1ccc(Cn2nc(-c3cc(OC=O)ccn3)c3c(NC4CCOCC4)nccc32)cc1.[C-]#[N+]c1ccnc(-c2nn(Cc3ccc(OC)cc3)c3ccnc(NC4CCOCC4)c23)c1
• InChI: InChI=1S/C27H30N6O3.C25H24N6O2.C25H25N5O4.C20H23N5O2/c1-32(2)27(34)19-8-12-28-22(16-19)25-24-23(9-13-29-26(24)30-20-10-14-36-15-11-20)33(31-25)17-18-4-6-21(35-3)7-5-18;1-26-19-7-11-27-21(15-19)24-23-22(8-12-28-25(23)29-18-9-13-33-14-10-18)31(30-24)16-17-3-5-20(32-2)6-4-17;1-32-19-4-2-17(3-5-19)15-30-22-7-11-27-25(28-18-8-12-33-13-9-18)23(22)24(29-30)21-14-20(34-16-31)6-10-26-21;1-25(2)20(26)13-3-7-21-16(11-13)18-17-14(12-23-18)4-8-22-19(17)24-15-5-9-27-10-6-15/h4-9,12-13,16,20H,10-11,14-15,17H2,1-3H3,(H,29,30);3-8,11-12,15,18H,9-10,13-14,16H2,2H3,(H,28,29);2-7,10-11,14,16,18H,8-9,12-13,15H2,1H3,(H,27,28);3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,22,24)
• InChIKey: SXDBVAJYQLYYBZ-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 352.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.03
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate?

The IUPAC name of N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate (CID 160962058) is N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate.

What is the SMILES notation for N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate?

The canonical SMILES for N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate is CN(C)C(=O)c1ccnc(C2=NCc3ccnc(NC4CCOCC4)c32)c1.COc1ccc(Cn2nc(-c3cc(C(=O)N(C)C)ccn3)c3c(NC4CCOCC4)nccc32)cc1.COc1ccc(Cn2nc(-c3cc(OC=O)ccn3)c3c(NC4CCOCC4)nccc32)cc1.[C-]#[N+]c1ccnc(-c2nn(Cc3ccc(OC)cc3)c3ccnc(NC4CCOCC4)c23)c1.

What is the InChIKey of N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate?

The InChIKey is SXDBVAJYQLYYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3.C25H24N6O2.C25H25N5O4.C20H23N5O2/c1-32(2)27(34)19-8-12-28-22(16-19)25-24-23(9-13-29-26(24)30-20-10-14-36-15-11-20)33(31-25)17-18-4-6-21(35-3)7-5-18;1-26-19-7-11-27-21(15-19)24-23-22(8-12-28-25(23)29-18-9-13-33-14-10-18)31(30-24)16-17-3-5-20(32-2)6-4-17;1-32-19-4-2-17(3-5-19)15-30-22-7-11-27-25(28-18-8-12-33-13-9-18)23(22)24(29-30)21-14-20(34-16-31)6-10-26-21;1-25(2)20(26)13-3-7-21-16(11-13)18-17-14(12-23-18)4-8-22-19(17)24-15-5-9-27-10-6-15/h4-9,12-13,16,20H,10-11,14-15,17H2,1-3H3,(H,29,30);3-8,11-12,15,18H,9-10,13-14,16H2,2H3,(H,28,29);2-7,10-11,14,16,18H,8-9,12-13,15H2,1H3,(H,27,28);3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,22,24).

What are the key properties of N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate?

N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate has a molecular weight of 1752.03 g/mol, XLogP of 14.33, 25 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]pyridine-4-carboxamide;3-(4-isocyano-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyridine-4-carboxamide;[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl] formate is sourced from PubChem (CID 160962058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).