(6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone

C14H17ClN4O — CID 91014746

IUPAC(6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(Cl)nc2c1cnn2C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H17ClN4O/c1-9-3-5-18(6-4-9)14(20)19-13-11(8-16-19)10(2)7-12(15)17-13/h7-9H,3-6H2,1-2H3
InChIKeyKAUCWEBZLWOBLE-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.09
Rot. Bonds

About (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone

(6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 91014746) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID91014746
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name(6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(Cl)nc2c1cnn2C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H17ClN4O/c1-9-3-5-18(6-4-9)14(20)19-13-11(8-16-19)10(2)7-12(15)17-13/h7-9H,3-6H2,1-2H3
InChIKeyKAUCWEBZLWOBLE-UHFFFAOYSA-N
XLogP3.09
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
1-(4-Chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
CID 3578502
9-Chloro-5-(4-methyl-1-piperazinyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 71547932
1-(2,6-Dichloro-4-pyridinyl)-3-[(1-methyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
CID 168288692
1-[(5-Benzyl-1,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)amino]-3-(2,6-dichloro-4-pyridinyl)urea
CID 168296158
1-(4-chlorobenzyl)-4-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 662023
1-(4-chlorobenzyl)-4-(3,5-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 2944971
3-(4-Chlorophenyl)-5-methyl-7-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 666939
1-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 3554231
[3-(6-Dimethylamino-2,4-dimethyl-pyridin-3-yl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
CID 11153216
[6-Chloro-3-(6-dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
CID 11235365

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone (CID 91014746) is (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone is Cc1cc(Cl)nc2c1cnn2C(=O)N1CCC(C)CC1.
What is the InChIKey of (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KAUCWEBZLWOBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-3-5-18(6-4-9)14(20)19-13-11(8-16-19)10(2)7-12(15)17-13/h7-9H,3-6H2,1-2H3.
What are the key properties of (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone?
(6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 292.77 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91014746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).