[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone

C20H16ClF3N4O — CID 90408638

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCn1nc2c(c1-c1ccccn1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIInChI=1S/C20H16ClF3N4O/c1-27-18(15-7-2-3-9-25-15)12-8-10-28(11-16(12)26-27)19(29)13-5-4-6-14(17(13)21)20(22,23)24/h2-7,9H,8,10-11H2,1H3
InChIKeyIDZPQNKXXJELQM-UHFFFAOYSA-N
MW420.82 g/mol
LogP4.35
Rot. Bonds2

About [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone

[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (PubChem CID 90408638) has the molecular formula C20H16ClF3N4O and a molecular weight of 420.82 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
PubChem CID90408638
Molecular FormulaC20H16ClF3N4O
Molecular Weight420.82 g/mol
Exact Mass420.10
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCn1nc2c(c1-c1ccccn1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIInChI=1S/C20H16ClF3N4O/c1-27-18(15-7-2-3-9-25-15)12-8-10-28(11-16(12)26-27)19(29)13-5-4-6-14(17(13)21)20(22,23)24/h2-7,9H,8,10-11H2,1H3
InChIKeyIDZPQNKXXJELQM-UHFFFAOYSA-N
XLogP4.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 137662068
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
5H-1-benzazepin-5-ylidene acetamide, 10b
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5H-1-benzazepin-5-ylidene acetamide, 10c
CID 44520873
5H-1-benzazepin-5-ylidene acetamide, 10d
CID 44520874
5H-1-benzazepin-5-ylidene acetamide, 10f
CID 44520876
5H-1-benzazepin-5-ylidene acetamide, 10g
CID 44520877
(3-Chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57394859
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
CID 6619939

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (CID 90408638) is [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is Cn1nc2c(c1-c1ccccn1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The InChIKey is IDZPQNKXXJELQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O/c1-27-18(15-7-2-3-9-25-15)12-8-10-28(11-16(12)26-27)19(29)13-5-4-6-14(17(13)21)20(22,23)24/h2-7,9H,8,10-11H2,1H3.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone has a molecular weight of 420.82 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 90408638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).