methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid

C25H32N8O3 — CID 146572034

IUPACmethyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid
SMILESCCCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N(C)C(C)C)nc3CN(C)C(=O)O)C2=O)n1
InChIInChI=1S/C25H32N8O3/c1-7-11-32-16(4)28-29-23(32)19-9-8-10-21(26-19)33-13-18-17(24(33)34)12-22(31(6)15(2)3)27-20(18)14-30(5)25(35)36/h8-10,12,15H,7,11,13-14H2,1-6H3,(H,35,36)
InChIKeyAFTKGZGPQIZUGY-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.57
Rot. Bonds8

About methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid

methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid (PubChem CID 146572034) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid
PubChem CID146572034
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Namemethyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid
SMILESCCCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N(C)C(C)C)nc3CN(C)C(=O)O)C2=O)n1
InChIInChI=1S/C25H32N8O3/c1-7-11-32-16(4)28-29-23(32)19-9-8-10-21(26-19)33-13-18-17(24(33)34)12-22(31(6)15(2)3)27-20(18)14-30(5)25(35)36/h8-10,12,15H,7,11,13-14H2,1-6H3,(H,35,36)
InChIKeyAFTKGZGPQIZUGY-UHFFFAOYSA-N
XLogP3.57
TPSA120.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid with MolForge

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Related Compounds

[2-[6-[4-(3,3-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl-methylcarbamic acid
CID 175589575
[2-[6-[(5R,7R)-5-(fluoromethyl)-7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl-methylcarbamic acid
CID 175589535
[2-[6-[4-(4-cyanophenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl-methylcarbamic acid
CID 175589561
4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611061
4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572106
4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495101
4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611381
6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146634090
tert-butyl N-[[2-[6-[4-(3,3-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495119
tert-butyl N-methyl-N-[[2-[6-[4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 167495239
4-(aminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146610508
4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495388

Frequently Asked Questions

What is the IUPAC name of methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid?
The IUPAC name of methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid (CID 146572034) is methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid.
What is the SMILES notation for methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid?
The canonical SMILES for methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid is CCCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N(C)C(C)C)nc3CN(C)C(=O)O)C2=O)n1.
What is the InChIKey of methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid?
The InChIKey is AFTKGZGPQIZUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-7-11-32-16(4)28-29-23(32)19-9-8-10-21(26-19)33-13-18-17(24(33)34)12-22(31(6)15(2)3)27-20(18)14-30(5)25(35)36/h8-10,12,15H,7,11,13-14H2,1-6H3,(H,35,36).
What are the key properties of methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid?
methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid has a molecular weight of 492.58 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid is sourced from PubChem (CID 146572034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).