2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one

C21H22N6O2 — CID 134810012

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCn1cc(CN2Cc3c(cc(N4CCOCC4)nc3-c3cccnc3)C2=O)cn1
InChIInChI=1S/C21H22N6O2/c1-25-12-15(10-23-25)13-27-14-18-17(21(27)28)9-19(26-5-7-29-8-6-26)24-20(18)16-3-2-4-22-11-16/h2-4,9-12H,5-8,13-14H2,1H3
InChIKeyMCFQUCBXHWFUCE-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.87
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one

2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134810012) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134810012
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCn1cc(CN2Cc3c(cc(N4CCOCC4)nc3-c3cccnc3)C2=O)cn1
InChIInChI=1S/C21H22N6O2/c1-25-12-15(10-23-25)13-27-14-18-17(21(27)28)9-19(26-5-7-29-8-6-26)24-20(18)16-3-2-4-22-11-16/h2-4,9-12H,5-8,13-14H2,1H3
InChIKeyMCFQUCBXHWFUCE-UHFFFAOYSA-N
XLogP1.87
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
(3S)-2-(2-methoxyethyl)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604219
(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604308
5-(2-Methoxyethyl)-2-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480562
5-(2-Methoxyethyl)-1-Methyl-2-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydropyrrolo[3,2-C]pyridin-4-One
CID 126480565
(6S)-5-(2-methoxyethyl)-6-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 137636104
(3R)-2-(2-methoxyethyl)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 137641993
2-(2-Methoxyethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 137644714
N-(3-(3-(2-morpholinopyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880141
1-(1-Methylethyl)-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-6-(4-pyridinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56597562

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134810012) is 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one is Cn1cc(CN2Cc3c(cc(N4CCOCC4)nc3-c3cccnc3)C2=O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is MCFQUCBXHWFUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-25-12-15(10-23-25)13-27-14-18-17(21(27)28)9-19(26-5-7-29-8-6-26)24-20(18)16-3-2-4-22-11-16/h2-4,9-12H,5-8,13-14H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 390.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-4-pyridin-3-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134810012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).