(3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C23H27F2N5O2 — CID 157496344

IUPAC(3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCC(F)(F)CC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C23H27F2N5O2/c1-14(15-3-4-18(31)9-15)32-22-19-13-29(2)28-21(19)10-20(27-22)16-11-26-30(12-16)17-5-7-23(24,25)8-6-17/h10-15,17H,3-9H2,1-2H3/t14-,15+/m1/s1
InChIKeyBXWKUOBDMGGJAH-CABCVRRESA-N
MW443.50 g/mol
LogP4.72
Rot. Bonds5

About (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 157496344) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID157496344
Molecular FormulaC23H27F2N5O2
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name(3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCC(F)(F)CC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C23H27F2N5O2/c1-14(15-3-4-18(31)9-15)32-22-19-13-29(2)28-21(19)10-20(27-22)16-11-26-30(12-16)17-5-7-23(24,25)8-6-17/h10-15,17H,3-9H2,1-2H3/t14-,15+/m1/s1
InChIKeyBXWKUOBDMGGJAH-CABCVRRESA-N
XLogP4.72
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-((1R)-1-(6-(1-tert-butylpyrazol-4-yl)-2-methyl-pyrazolo(4,3-c)pyridin-4-yl)oxyethyl)pyrrolidin-2-one
CID 118386410
US9914735, Example 10
CID 118386426
4-cyclohexyloxy-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine
CID 155516974
4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
CID 56942222
3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66826525
US9914735, Example 60
CID 118401285
US9914735, Example 51
CID 118401290
US9914735, Example 15
CID 118401303
US9914735, Example 61
CID 122498425
US10947243, Example 83
CID 134336016
4-Ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine
CID 175944907
US9914735, Example 82
CID 118386408

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 157496344) is (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1nc(-c2cnn(C3CCC(F)(F)CC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is BXWKUOBDMGGJAH-CABCVRRESA-N. The full InChI is InChI=1S/C23H27F2N5O2/c1-14(15-3-4-18(31)9-15)32-22-19-13-29(2)28-21(19)10-20(27-22)16-11-26-30(12-16)17-5-7-23(24,25)8-6-17/h10-15,17H,3-9H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 443.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 157496344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).