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

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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).