N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide

C21H16ClF3N4O3 — CID 151300976

IUPACN-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
SMILESC[C@H]1CC(c2ccc(OC(F)(F)F)c(Cl)c2)C(=O)c2c(NC(=O)c3cccnc3)cnn21
InChIInChI=1S/C21H16ClF3N4O3/c1-11-7-14(12-4-5-17(15(22)8-12)32-21(23,24)25)19(30)18-16(10-27-29(11)18)28-20(31)13-3-2-6-26-9-13/h2-6,8-11,14H,7H2,1H3,(H,28,31)/t11-,14?/m0/s1
InChIKeyOCKLWHSNQFWQRF-ZSOXZCCMSA-N
MW464.83 g/mol
LogP5.01
Rot. Bonds4

About N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide

N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 151300976) has the molecular formula C21H16ClF3N4O3 and a molecular weight of 464.83 g/mol. Its IUPAC name is N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
PubChem CID151300976
Molecular FormulaC21H16ClF3N4O3
Molecular Weight464.83 g/mol
Exact Mass464.09
IUPAC NameN-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
SMILESC[C@H]1CC(c2ccc(OC(F)(F)F)c(Cl)c2)C(=O)c2c(NC(=O)c3cccnc3)cnn21
InChIInChI=1S/C21H16ClF3N4O3/c1-11-7-14(12-4-5-17(15(22)8-12)32-21(23,24)25)19(30)18-16(10-27-29(11)18)28-20(31)13-3-2-6-26-9-13/h2-6,8-11,14H,7H2,1H3,(H,28,31)/t11-,14?/m0/s1
InChIKeyOCKLWHSNQFWQRF-ZSOXZCCMSA-N
XLogP5.01
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.83
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide (CID 151300976) is N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide is C[C@H]1CC(c2ccc(OC(F)(F)F)c(Cl)c2)C(=O)c2c(NC(=O)c3cccnc3)cnn21.
What is the InChIKey of N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide?
The InChIKey is OCKLWHSNQFWQRF-ZSOXZCCMSA-N. The full InChI is InChI=1S/C21H16ClF3N4O3/c1-11-7-14(12-4-5-17(15(22)8-12)32-21(23,24)25)19(30)18-16(10-27-29(11)18)28-20(31)13-3-2-6-26-9-13/h2-6,8-11,14H,7H2,1H3,(H,28,31)/t11-,14?/m0/s1.
What are the key properties of N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide?
N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 464.83 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 151300976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).