(3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one

C24H25ClN6O2 — CID 172584998

IUPAC(3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCn1cc(-c2ccc3c(N4CCN(C(=O)C[C@@H](O)c5ccc(Cl)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H25ClN6O2/c1-28-15-19(13-26-28)18-4-7-21-22(14-27-31(21)16-18)29-8-10-30(11-9-29)24(33)12-23(32)17-2-5-20(25)6-3-17/h2-7,13-16,23,32H,8-12H2,1H3/t23-/m1/s1
InChIKeyHQXVLDSYVXPWEV-HSZRJFAPSA-N
MW464.96 g/mol
LogP3.16
Rot. Bonds5

About (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one

(3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 172584998) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID172584998
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name(3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCn1cc(-c2ccc3c(N4CCN(C(=O)C[C@@H](O)c5ccc(Cl)cc5)CC4)cnn3c2)cn1
InChIInChI=1S/C24H25ClN6O2/c1-28-15-19(13-26-28)18-4-7-21-22(14-27-31(21)16-18)29-8-10-30(11-9-29)24(33)12-23(32)17-2-5-20(25)6-3-17/h2-7,13-16,23,32H,8-12H2,1H3/t23-/m1/s1
InChIKeyHQXVLDSYVXPWEV-HSZRJFAPSA-N
XLogP3.16
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US10174027, Example 327
CID 124199733
US10023570, Example 320
CID 124200216
US10023570, Example 322
CID 124200225
US10023570, Example 642
CID 124200263
(9R,13S)-13-[4-[3-chloro-2-fluoro-6-(1-hydroxyethyl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 126637873
3-(4-Chlorophenyl)-3-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585132
3-(4-Chlorophenyl)-2-fluoro-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585212
[2-(4-Fluorophenyl)-2-hydroxyethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585239
[(1R)-1-(4-chlorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264103
[(1S)-1-(4-chlorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264232
[1-(4-Chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 175885235
[(1R)-1-(2,4-dichlorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 176509583

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (CID 172584998) is (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is Cn1cc(-c2ccc3c(N4CCN(C(=O)C[C@@H](O)c5ccc(Cl)cc5)CC4)cnn3c2)cn1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is HQXVLDSYVXPWEV-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-28-15-19(13-26-28)18-4-7-21-22(14-27-31(21)16-18)29-8-10-30(11-9-29)24(33)12-23(32)17-2-5-20(25)6-3-17/h2-7,13-16,23,32H,8-12H2,1H3/t23-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
(3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 464.96 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 172584998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).