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

C24H30N8O — CID 170061989

IUPAC4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1nnc(-c2cccc(N3Cc4c(cc(N5CCCC5C)nc4CN)C3=O)n2)n1C(C)C
InChIInChI=1S/C24H30N8O/c1-14(2)32-16(4)28-29-23(32)19-8-5-9-21(26-19)31-13-18-17(24(31)33)11-22(27-20(18)12-25)30-10-6-7-15(30)3/h5,8-9,11,14-15H,6-7,10,12-13,25H2,1-4H3
InChIKeyMCLGRTNCZOCXQX-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.23
Rot. Bonds5

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

4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 170061989) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID170061989
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1nnc(-c2cccc(N3Cc4c(cc(N5CCCC5C)nc4CN)C3=O)n2)n1C(C)C
InChIInChI=1S/C24H30N8O/c1-14(2)32-16(4)28-29-23(32)19-8-5-9-21(26-19)31-13-18-17(24(31)33)11-22(27-20(18)12-25)30-10-6-7-15(30)3/h5,8-9,11,14-15H,6-7,10,12-13,25H2,1-4H3
InChIKeyMCLGRTNCZOCXQX-UHFFFAOYSA-N
XLogP3.23
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-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)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 170061989) is 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1nnc(-c2cccc(N3Cc4c(cc(N5CCCC5C)nc4CN)C3=O)n2)n1C(C)C.
What is the InChIKey of 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is MCLGRTNCZOCXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-14(2)32-16(4)28-29-23(32)19-8-5-9-21(26-19)31-13-18-17(24(31)33)11-22(27-20(18)12-25)30-10-6-7-15(30)3/h5,8-9,11,14-15H,6-7,10,12-13,25H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 446.56 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 170061989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).