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

C24H27F3N8O — CID 146593154

IUPAC4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C(F)(F)F)nc3CNC)C2=O)n1
InChIInChI=1S/C24H27F3N8O/c1-3-9-33-14-29-32-22(33)17-6-4-8-20(30-17)35-13-16-15(23(35)36)11-21(31-18(16)12-28-2)34-10-5-7-19(34)24(25,26)27/h4,6,8,11,14,19,28H,3,5,7,9-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyHMAVHUMYSBHTNZ-IBGZPJMESA-N
MW500.53 g/mol
LogP3.56
Rot. Bonds7

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

4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146593154) has the molecular formula C24H27F3N8O and a molecular weight of 500.53 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146593154
Molecular FormulaC24H27F3N8O
Molecular Weight500.53 g/mol
Exact Mass500.23
IUPAC Name4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C(F)(F)F)nc3CNC)C2=O)n1
InChIInChI=1S/C24H27F3N8O/c1-3-9-33-14-29-32-22(33)17-6-4-8-20(30-17)35-13-16-15(23(35)36)11-21(31-18(16)12-28-2)34-10-5-7-19(34)24(25,26)27/h4,6,8,11,14,19,28H,3,5,7,9-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyHMAVHUMYSBHTNZ-IBGZPJMESA-N
XLogP3.56
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-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-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146593154) is 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C(F)(F)F)nc3CNC)C2=O)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is HMAVHUMYSBHTNZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27F3N8O/c1-3-9-33-14-29-32-22(33)17-6-4-8-20(30-17)35-13-16-15(23(35)36)11-21(31-18(16)12-28-2)34-10-5-7-19(34)24(25,26)27/h4,6,8,11,14,19,28H,3,5,7,9-10,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 500.53 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146593154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).