2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one

C22H24N4O2 — CID 168772930

IUPAC2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one
SMILESCC1(CNc2ncc3c(-c4ccc5c(c4)OC(C)(C)CC5=O)c[nH]c3n2)CC1
InChIInChI=1S/C22H24N4O2/c1-21(2)9-17(27)14-5-4-13(8-18(14)28-21)15-10-23-19-16(15)11-24-20(26-19)25-12-22(3)6-7-22/h4-5,8,10-11H,6-7,9,12H2,1-3H3,(H2,23,24,25,26)
InChIKeyCQTMHOCIXAXUAG-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.58
Rot. Bonds4

About 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one

2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one (PubChem CID 168772930) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one.

Molecular Properties

Compound Name2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one
PubChem CID168772930
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one
SMILESCC1(CNc2ncc3c(-c4ccc5c(c4)OC(C)(C)CC5=O)c[nH]c3n2)CC1
InChIInChI=1S/C22H24N4O2/c1-21(2)9-17(27)14-5-4-13(8-18(14)28-21)15-10-23-19-16(15)11-24-20(26-19)25-12-22(3)6-7-22/h4-5,8,10-11H,6-7,9,12H2,1-3H3,(H2,23,24,25,26)
InChIKeyCQTMHOCIXAXUAG-UHFFFAOYSA-N
XLogP4.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-7-[2-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one
CID 168773137
N-[(1-methylcyclopropyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774035
7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 168805712
2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one
CID 166365244
7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one
CID 88921692
6-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 168773499
N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774152
2,2-dimethyl-7-(3-methylbut-2-enoxy)-3H-chromen-4-one
CID 15609641
N-[(4,4-difluorocyclohexyl)methyl]-5-[3-(1-methylpiperidin-4-yl)oxyquinoxalin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773260
N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773885
N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 63822155
7-(2,3-dichloroprop-2-enoxy)-2,2-dimethyl-3H-chromen-4-one
CID 79167757

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one?
The IUPAC name of 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one (CID 168772930) is 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one.
What is the SMILES notation for 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one?
The canonical SMILES for 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one is CC1(CNc2ncc3c(-c4ccc5c(c4)OC(C)(C)CC5=O)c[nH]c3n2)CC1.
What is the InChIKey of 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one?
The InChIKey is CQTMHOCIXAXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-21(2)9-17(27)14-5-4-13(8-18(14)28-21)15-10-23-19-16(15)11-24-20(26-19)25-12-22(3)6-7-22/h4-5,8,10-11H,6-7,9,12H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one?
2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one has a molecular weight of 376.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one is sourced from PubChem (CID 168772930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).