4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C24H30N8O — CID 146571959

IUPAC4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CNC)C2=O)n1
InChIInChI=1S/C24H30N8O/c1-4-10-30-15-26-29-23(30)19-8-5-9-21(27-19)32-14-18-17(24(32)33)12-22(28-20(18)13-25-3)31-11-6-7-16(31)2/h5,8-9,12,15-16,25H,4,6-7,10-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyQSVFFKYNWBAYGO-MRXNPFEDSA-N
MW446.56 g/mol
LogP3.01
Rot. Bonds7

About 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146571959) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146571959
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CNC)C2=O)n1
InChIInChI=1S/C24H30N8O/c1-4-10-30-15-26-29-23(30)19-8-5-9-21(27-19)32-14-18-17(24(32)33)12-22(28-20(18)13-25-3)31-11-6-7-16(31)2/h5,8-9,12,15-16,25H,4,6-7,10-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyQSVFFKYNWBAYGO-MRXNPFEDSA-N
XLogP3.01
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-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-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146571959) is 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CNC)C2=O)n1.
What is the InChIKey of 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is QSVFFKYNWBAYGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N8O/c1-4-10-30-15-26-29-23(30)19-8-5-9-21(27-19)32-14-18-17(24(32)33)12-22(28-20(18)13-25-3)31-11-6-7-16(31)2/h5,8-9,12,15-16,25H,4,6-7,10-11,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 446.56 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146571959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).