1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one

C26H32ClN5O — CID 157374976

IUPAC1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)C2CCCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C26H32ClN5O/c1-30-16-12-19(13-17-30)5-10-25(33)23-4-2-3-15-31(23)26-22-11-14-28-18-24(22)32(29-26)21-8-6-20(27)7-9-21/h6-9,11,14,18-19,23H,2-5,10,12-13,15-17H2,1H3
InChIKeyOMPFCFWQSRYWAO-UHFFFAOYSA-N
MW466.03 g/mol
LogP5.12
Rot. Bonds6

About 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one

1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one (PubChem CID 157374976) has the molecular formula C26H32ClN5O and a molecular weight of 466.03 g/mol. Its IUPAC name is 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
PubChem CID157374976
Molecular FormulaC26H32ClN5O
Molecular Weight466.03 g/mol
Exact Mass465.23
IUPAC Name1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)C2CCCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C26H32ClN5O/c1-30-16-12-19(13-17-30)5-10-25(33)23-4-2-3-15-31(23)26-22-11-14-28-18-24(22)32(29-26)21-8-6-20(27)7-9-21/h6-9,11,14,18-19,23H,2-5,10,12-13,15-17H2,1H3
InChIKeyOMPFCFWQSRYWAO-UHFFFAOYSA-N
XLogP5.12
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.03
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 89445232
N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide;1-(4-chlorophenyl)-3-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-c]pyridine;4-[[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]methyl]morpholine;N-[[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]methyl]-1-piperidin-4-ylmethanamine;1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 157374975
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
CID 89440941
1-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)pyrazolo[5,4-c]pyridine
CID 140654566
N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
CID 71516167
N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide
CID 67418601
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 71516373
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 89451467
1-[(2S)-1-(4-chlorophenyl)pyrrolidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158966557
1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate
CID 161243854

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one (CID 157374976) is 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one is CN1CCC(CCC(=O)C2CCCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one?
The InChIKey is OMPFCFWQSRYWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O/c1-30-16-12-19(13-17-30)5-10-25(33)23-4-2-3-15-31(23)26-22-11-14-28-18-24(22)32(29-26)21-8-6-20(27)7-9-21/h6-9,11,14,18-19,23H,2-5,10,12-13,15-17H2,1H3.
What are the key properties of 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one?
1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one has a molecular weight of 466.03 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 157374976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).