4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C24H29N7O — CID 146611888

IUPAC4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCC(CC)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CN)C2=O)n1
InChIInChI=1S/C24H29N7O/c1-4-15(5-2)31-14-26-29-22(31)18-7-6-8-21(28-18)30-13-17-16(23(30)32)11-20(24(3)9-10-24)27-19(17)12-25/h6-8,11,14-15H,4-5,9-10,12-13,25H2,1-3H3
InChIKeyMTAXSWMJQAZALE-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.77
Rot. Bonds7

About 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146611888) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146611888
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCC(CC)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CN)C2=O)n1
InChIInChI=1S/C24H29N7O/c1-4-15(5-2)31-14-26-29-22(31)18-7-6-8-21(28-18)30-13-17-16(23(30)32)11-20(24(3)9-10-24)27-19(17)12-25/h6-8,11,14-15H,4-5,9-10,12-13,25H2,1-3H3
InChIKeyMTAXSWMJQAZALE-UHFFFAOYSA-N
XLogP3.77
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146611888) is 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCC(CC)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CN)C2=O)n1.
What is the InChIKey of 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is MTAXSWMJQAZALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-4-15(5-2)31-14-26-29-22(31)18-7-6-8-21(28-18)30-13-17-16(23(30)32)11-20(24(3)9-10-24)27-19(17)12-25/h6-8,11,14-15H,4-5,9-10,12-13,25H2,1-3H3.
What are the key properties of 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 431.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146611888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).