N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C17H17N7 — CID 175893243

IUPACN-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC1CC(Nc2ncc3c(-c4ccn5nccc5n4)c[nH]c3n2)C1
InChIInChI=1S/C17H17N7/c1-10-6-11(7-10)21-17-19-9-13-12(8-18-16(13)23-17)14-3-5-24-15(22-14)2-4-20-24/h2-5,8-11H,6-7H2,1H3,(H2,18,19,21,23)
InChIKeyZZWYDIWHYKCIEU-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.88
Rot. Bonds3

About N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 175893243) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID175893243
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC1CC(Nc2ncc3c(-c4ccn5nccc5n4)c[nH]c3n2)C1
InChIInChI=1S/C17H17N7/c1-10-6-11(7-10)21-17-19-9-13-12(8-18-16(13)23-17)14-3-5-24-15(22-14)2-4-20-24/h2-5,8-11H,6-7H2,1H3,(H2,18,19,21,23)
InChIKeyZZWYDIWHYKCIEU-UHFFFAOYSA-N
XLogP2.88
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 168773560
N-[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]propanamide
CID 168772395
[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone
CID 168772673
N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773055
N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372348
1-[2-[(5-imidazo[1,2-b]pyridazin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773684
2-N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-4-N-methyl-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 168773076
1-[(3aR,6aS)-5-[[5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 168773393
N-(4,4-difluorocyclohexyl)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773223
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772917
tert-butyl N-[(1S,3S)-3-[(5-chloro-4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]cyclopentyl]carbamate
CID 169291391
N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773418

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 175893243) is N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CC1CC(Nc2ncc3c(-c4ccn5nccc5n4)c[nH]c3n2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ZZWYDIWHYKCIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-10-6-11(7-10)21-17-19-9-13-12(8-18-16(13)23-17)14-3-5-24-15(22-14)2-4-20-24/h2-5,8-11H,6-7H2,1H3,(H2,18,19,21,23).
What are the key properties of N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 319.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175893243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).