4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C25H32N8O — CID 146611060

IUPAC4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1nnc(-c2cccc(N3Cc4c(cc(N5[C@H](C)CC[C@H]5C)nc4CN)C3=O)n2)n1C(C)C
InChIInChI=1S/C25H32N8O/c1-14(2)32-17(5)29-30-24(32)20-7-6-8-22(27-20)31-13-19-18(25(31)34)11-23(28-21(19)12-26)33-15(3)9-10-16(33)4/h6-8,11,14-16H,9-10,12-13,26H2,1-5H3/t15-,16-/m1/s1
InChIKeyNMYRCRNEYBYSPR-HZPDHXFCSA-N
MW460.59 g/mol
LogP3.62
Rot. Bonds5

About 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146611060) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146611060
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1nnc(-c2cccc(N3Cc4c(cc(N5[C@H](C)CC[C@H]5C)nc4CN)C3=O)n2)n1C(C)C
InChIInChI=1S/C25H32N8O/c1-14(2)32-17(5)29-30-24(32)20-7-6-8-22(27-20)31-13-19-18(25(31)34)11-23(28-21(19)12-26)33-15(3)9-10-16(33)4/h6-8,11,14-16H,9-10,12-13,26H2,1-5H3/t15-,16-/m1/s1
InChIKeyNMYRCRNEYBYSPR-HZPDHXFCSA-N
XLogP3.62
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146611060) is 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-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-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1nnc(-c2cccc(N3Cc4c(cc(N5[C@H](C)CC[C@H]5C)nc4CN)C3=O)n2)n1C(C)C.
What is the InChIKey of 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is NMYRCRNEYBYSPR-HZPDHXFCSA-N. The full InChI is InChI=1S/C25H32N8O/c1-14(2)32-17(5)29-30-24(32)20-7-6-8-22(27-20)31-13-19-18(25(31)34)11-23(28-21(19)12-26)33-15(3)9-10-16(33)4/h6-8,11,14-16H,9-10,12-13,26H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 460.59 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146611060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).