N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine

C19H23FN6 — CID 169234797

IUPACN-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine
SMILESCC(C)c1c2nc(-c3ccnc(NC4CCCC4)n3)cc(F)c2nn1C
InChIInChI=1S/C19H23FN6/c1-11(2)18-17-16(25-26(18)3)13(20)10-15(23-17)14-8-9-21-19(24-14)22-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H,21,22,24)
InChIKeyOEZIDTFXNJELAB-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.04
Rot. Bonds4

About N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine

N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine (PubChem CID 169234797) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine
PubChem CID169234797
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC NameN-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine
SMILESCC(C)c1c2nc(-c3ccnc(NC4CCCC4)n3)cc(F)c2nn1C
InChIInChI=1S/C19H23FN6/c1-11(2)18-17-16(25-26(18)3)13(20)10-15(23-17)14-8-9-21-19(24-14)22-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H,21,22,24)
InChIKeyOEZIDTFXNJELAB-UHFFFAOYSA-N
XLogP4.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46985481
cis-(1S,3S)-1-N'-[4-(2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-yl]cyclopentane-1,1,3-triamine
CID 174232036
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine
CID 10177126
[(1S,3S)-3-[[4-(2-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-2-yl]amino]cyclopentyl]carbamic acid
CID 174232050
5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one
CID 143130067
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 140546351
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
[4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 140546353

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine (CID 169234797) is N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine is CC(C)c1c2nc(-c3ccnc(NC4CCCC4)n3)cc(F)c2nn1C.
What is the InChIKey of N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine?
The InChIKey is OEZIDTFXNJELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c1-11(2)18-17-16(25-26(18)3)13(20)10-15(23-17)14-8-9-21-19(24-14)22-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H,21,22,24).
What are the key properties of N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine?
N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine has a molecular weight of 354.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(7-fluoro-2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 169234797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).