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

C23H28N8O — CID 146611033

IUPAC4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN)C2=O)n1
InChIInChI=1S/C23H28N8O/c1-14(2)31-13-25-28-22(31)18-7-4-8-20(26-18)30-12-17-16(23(30)32)10-21(27-19(17)11-24)29-9-5-6-15(29)3/h4,7-8,10,13-15H,5-6,9,11-12,24H2,1-3H3/t15-/m1/s1
InChIKeyNZWZWDKHYUREIF-OAHLLOKOSA-N
MW432.53 g/mol
LogP2.92
Rot. Bonds5

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

4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146611033) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(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)-2-methylpyrrolidin-1-yl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146611033
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN)C2=O)n1
InChIInChI=1S/C23H28N8O/c1-14(2)31-13-25-28-22(31)18-7-4-8-20(26-18)30-12-17-16(23(30)32)10-21(27-19(17)11-24)29-9-5-6-15(29)3/h4,7-8,10,13-15H,5-6,9,11-12,24H2,1-3H3/t15-/m1/s1
InChIKeyNZWZWDKHYUREIF-OAHLLOKOSA-N
XLogP2.92
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(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)-2-methylpyrrolidin-1-yl]-2-[6-(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)-2-methylpyrrolidin-1-yl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146611033) is 4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(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)-2-methylpyrrolidin-1-yl]-2-[6-(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)-2-methylpyrrolidin-1-yl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CC(C)n1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN)C2=O)n1.
What is the InChIKey of 4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is NZWZWDKHYUREIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N8O/c1-14(2)31-13-25-28-22(31)18-7-4-8-20(26-18)30-12-17-16(23(30)32)10-21(27-19(17)11-24)29-9-5-6-15(29)3/h4,7-8,10,13-15H,5-6,9,11-12,24H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(aminomethyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2-[6-(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 432.53 g/mol, XLogP of 2.92, 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)-2-methylpyrrolidin-1-yl]-2-[6-(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 146611033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).