(7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C20H16F2N4O2 — CID 118348128

IUPAC(7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)N[C@@H]3C)nc1
InChIInChI=1S/C20H16F2N4O2/c1-10-19-18(20(27)24-10)15(25-16-7-6-11(28-2)9-23-16)8-14(26-19)17-12(21)4-3-5-13(17)22/h3-10H,1-2H3,(H,24,27)(H,23,25,26)/t10-/m1/s1
InChIKeyKDCLMIWAGSHENI-SNVBAGLBSA-N
MW382.37 g/mol
LogP3.98
Rot. Bonds4

About (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

(7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 118348128) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID118348128
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name(7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)N[C@@H]3C)nc1
InChIInChI=1S/C20H16F2N4O2/c1-10-19-18(20(27)24-10)15(25-16-7-6-11(28-2)9-23-16)8-14(26-19)17-12(21)4-3-5-13(17)22/h3-10H,1-2H3,(H,24,27)(H,23,25,26)/t10-/m1/s1
InChIKeyKDCLMIWAGSHENI-SNVBAGLBSA-N
XLogP3.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5,6,7-Tetrahydro-1-methyl-2-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]-4H-pyrrolo[3,2-c]pyridin-4-one
CID 25210579
1-Methyl-5-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
CID 54759168
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028779
6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide
CID 138756256
2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 156621361
1H-indol-2-yl-[4-(3-isopropoxy-2-pyridyl)piperazin-1-yl]methanone
CID 468307
[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10550225
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
2-[2-(2-methoxyanilino)pyrimidin-4-yl]-1'-prop-2-enoylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 166626802
2-[5-chloro-2-(2-methoxyanilino)pyrimidin-4-yl]-1'-prop-2-enoylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 166626903
[4-[(3-ethoxy-2-pyridyl)-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468316
1H-indol-2-yl-[4-[(3-isopropoxy-2-pyridyl)-methyl-amino]-1-piperidyl]methanone
CID 468317

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 118348128) is (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is COc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)N[C@@H]3C)nc1.
What is the InChIKey of (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KDCLMIWAGSHENI-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-10-19-18(20(27)24-10)15(25-16-7-6-11(28-2)9-23-16)8-14(26-19)17-12(21)4-3-5-13(17)22/h3-10H,1-2H3,(H,24,27)(H,23,25,26)/t10-/m1/s1.
What are the key properties of (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
(7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 382.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 118348128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).