1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol

C23H28N6O — CID 58425576

IUPAC1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc(C2=CCc3ncc(-c4cnn(C(C)C)c4)cc32)nc(N)n1
InChIInChI=1S/C23H28N6O/c1-13(2)7-22(30)21-9-20(27-23(24)28-21)17-5-6-19-18(17)8-15(10-25-19)16-11-26-29(12-16)14(3)4/h5,8-14,22,30H,6-7H2,1-4H3,(H2,24,27,28)
InChIKeyNMBKVFORQOLSMM-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.97
Rot. Bonds6

About 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol

1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol (PubChem CID 58425576) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol
PubChem CID58425576
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc(C2=CCc3ncc(-c4cnn(C(C)C)c4)cc32)nc(N)n1
InChIInChI=1S/C23H28N6O/c1-13(2)7-22(30)21-9-20(27-23(24)28-21)17-5-6-19-18(17)8-15(10-25-19)16-11-26-29(12-16)14(3)4/h5,8-14,22,30H,6-7H2,1-4H3,(H2,24,27,28)
InChIKeyNMBKVFORQOLSMM-UHFFFAOYSA-N
XLogP3.97
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine
CID 58425485
2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol
CID 58425533
4-ethyl-6-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
CID 58425531
4-[3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-7H-cyclopenta[b]pyridin-5-yl]-6-ethylpyrimidin-2-amine
CID 58425495
N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 159922683
2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 86659391
6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid
CID 172868751
4-(3-imidazol-1-ylpropyl)-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 67041077
4-[1-(4-methylpentan-2-yl)pyrazol-4-yl]aniline
CID 114284742
3-fluoro-2-methyl-4-(1-propan-2-ylpyrazol-4-yl)aniline
CID 171906281
1-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-3-ethyl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 91312710
5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine
CID 159636059

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol (CID 58425576) is 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol is CC(C)CC(O)c1cc(C2=CCc3ncc(-c4cnn(C(C)C)c4)cc32)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is NMBKVFORQOLSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-13(2)7-22(30)21-9-20(27-23(24)28-21)17-5-6-19-18(17)8-15(10-25-19)16-11-26-29(12-16)14(3)4/h5,8-14,22,30H,6-7H2,1-4H3,(H2,24,27,28).
What are the key properties of 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol?
1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 404.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 58425576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).