N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H13ClF3N5O2 — CID 134609836

IUPACN-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cc1Cl
InChIInChI=1S/C20H13ClF3N5O2/c1-31-19-14(21)8-11(9-26-19)28-18(30)13-10-27-29(17(13)20(22,23)24)16-6-2-5-15-12(16)4-3-7-25-15/h2-10H,1H3,(H,28,30)
InChIKeyPYUJKCKGDIIITP-UHFFFAOYSA-N
MW447.80 g/mol
LogP4.75
Rot. Bonds4

About N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609836) has the molecular formula C20H13ClF3N5O2 and a molecular weight of 447.80 g/mol. Its IUPAC name is N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609836
Molecular FormulaC20H13ClF3N5O2
Molecular Weight447.80 g/mol
Exact Mass447.07
IUPAC NameN-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cc1Cl
InChIInChI=1S/C20H13ClF3N5O2/c1-31-19-14(21)8-11(9-26-19)28-18(30)13-10-27-29(17(13)20(22,23)24)16-6-2-5-15-12(16)4-3-7-25-15/h2-10H,1H3,(H,28,30)
InChIKeyPYUJKCKGDIIITP-UHFFFAOYSA-N
XLogP4.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609836) is N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ncc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cc1Cl.
What is the InChIKey of N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PYUJKCKGDIIITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O2/c1-31-19-14(21)8-11(9-26-19)28-18(30)13-10-27-29(17(13)20(22,23)24)16-6-2-5-15-12(16)4-3-7-25-15/h2-10H,1H3,(H,28,30).
What are the key properties of N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 447.80 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).