N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride

C37H31ClF6N10O2 — CID 160797717

IUPACN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride
SMILESCc1cccnc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.Cl.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cccnc1
InChIInChI=1S/C19H16F3N5O.C18H14F3N5O.ClH/c1-11-3-2-8-23-17(11)18(28)25-13-6-7-16(24-10-13)27-14(12-4-5-12)9-15(26-27)19(20,21)22;19-18(20,21)15-8-14(11-3-4-11)26(25-15)16-6-5-13(10-23-16)24-17(27)12-2-1-7-22-9-12;/h2-3,6-10,12H,4-5H2,1H3,(H,25,28);1-2,5-11H,3-4H2,(H,24,27);1H
InChIKeyWHZHJHWNEYCIBV-UHFFFAOYSA-N
MW797.16 g/mol
LogP8.35
Rot. Bonds8

About N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride

N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 160797717) has the molecular formula C37H31ClF6N10O2 and a molecular weight of 797.16 g/mol. Its IUPAC name is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride
PubChem CID160797717
Molecular FormulaC37H31ClF6N10O2
Molecular Weight797.16 g/mol
Exact Mass796.22
IUPAC NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride
SMILESCc1cccnc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.Cl.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cccnc1
InChIInChI=1S/C19H16F3N5O.C18H14F3N5O.ClH/c1-11-3-2-8-23-17(11)18(28)25-13-6-7-16(24-10-13)27-14(12-4-5-12)9-15(26-27)19(20,21)22;19-18(20,21)15-8-14(11-3-4-11)26(25-15)16-6-5-13(10-23-16)24-17(27)12-2-1-7-22-9-12;/h2-3,6-10,12H,4-5H2,1H3,(H,25,28);1-2,5-11H,3-4H2,(H,24,27);1H
InChIKeyWHZHJHWNEYCIBV-UHFFFAOYSA-N
XLogP8.35
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.16
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328250
6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328251
6-cyclopropyl-N-[1-(2-phenylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328634
N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328635
6-cyclopropyl-N-[5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328814
6-cyclopropyl-N-(1-propyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328815
6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328988
N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328990

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride (CID 160797717) is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride is Cc1cccnc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.Cl.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cccnc1.
What is the InChIKey of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is WHZHJHWNEYCIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O.C18H14F3N5O.ClH/c1-11-3-2-8-23-17(11)18(28)25-13-6-7-16(24-10-13)27-14(12-4-5-12)9-15(26-27)19(20,21)22;19-18(20,21)15-8-14(11-3-4-11)26(25-15)16-6-5-13(10-23-16)24-17(27)12-2-1-7-22-9-12;/h2-3,6-10,12H,4-5H2,1H3,(H,25,28);1-2,5-11H,3-4H2,(H,24,27);1H.
What are the key properties of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride?
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 797.16 g/mol, XLogP of 8.35, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 160797717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).