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

C23H30N8O — CID 146611381

IUPAC4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN(c1cc2c(c(CN)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O)C(C)C
InChIInChI=1S/C23H30N8O/c1-6-29(14(3)4)21-11-16-17(19(12-24)26-21)13-31(23(16)32)20-10-8-9-18(25-20)22-28-27-15(5)30(22)7-2/h8-11,14H,6-7,12-13,24H2,1-5H3
InChIKeyMMEPLBONHQRKIZ-UHFFFAOYSA-N
MW434.55 g/mol
LogP2.92
Rot. Bonds7

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

4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146611381) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146611381
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN(c1cc2c(c(CN)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O)C(C)C
InChIInChI=1S/C23H30N8O/c1-6-29(14(3)4)21-11-16-17(19(12-24)26-21)13-31(23(16)32)20-10-8-9-18(25-20)22-28-27-15(5)30(22)7-2/h8-11,14H,6-7,12-13,24H2,1-5H3
InChIKeyMMEPLBONHQRKIZ-UHFFFAOYSA-N
XLogP2.92
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-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-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146611381) is 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one is CCN(c1cc2c(c(CN)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O)C(C)C.
What is the InChIKey of 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is MMEPLBONHQRKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-6-29(14(3)4)21-11-16-17(19(12-24)26-21)13-31(23(16)32)20-10-8-9-18(25-20)22-28-27-15(5)30(22)7-2/h8-11,14H,6-7,12-13,24H2,1-5H3.
What are the key properties of 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 434.55 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146611381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).