N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

C20H17ClF3N5O2 — CID 123812201

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(F)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C20H17ClF3N5O2/c21-20(23,24)31-15-3-1-14(2-4-15)27-19(30)12-9-16(17-5-7-26-28-17)18(25-10-12)29-8-6-13(22)11-29/h1-5,7,9-10,13H,6,8,11H2,(H,26,28)(H,27,30)
InChIKeyKKRFMKUZPVBJQX-UHFFFAOYSA-N
MW451.84 g/mol
LogP4.44
Rot. Bonds6

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 123812201) has the molecular formula C20H17ClF3N5O2 and a molecular weight of 451.84 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID123812201
Molecular FormulaC20H17ClF3N5O2
Molecular Weight451.84 g/mol
Exact Mass451.10
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(F)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C20H17ClF3N5O2/c21-20(23,24)31-15-3-1-14(2-4-15)27-19(30)12-9-16(17-5-7-26-28-17)18(25-10-12)29-8-6-13(22)11-29/h1-5,7,9-10,13H,6,8,11H2,(H,26,28)(H,27,30)
InChIKeyKKRFMKUZPVBJQX-UHFFFAOYSA-N
XLogP4.44
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.84
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 133082086
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 118044927
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-fluoropyrrolidin-1-yl]-5-(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-3-yl)pyridine-3-carboxamide
CID 166662324
5-carbamothioyl-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxamide
CID 135258323
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypyrrolidin-1-yl)-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 118195396
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(3-methyl-1,2,3,4-tetrahydropyrazin-2-yl)pyridine-3-carboxamide
CID 162613470
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
CID 142402507
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyridine-3-carboxamide
CID 135258202
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 118919306
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-[4-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 172610386
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-1H-pyrrol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 123610230
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[3-(hydroxyamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 146186595

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 123812201) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(F)C2)c(-c2ccn[nH]2)c1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is KKRFMKUZPVBJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5O2/c21-20(23,24)31-15-3-1-14(2-4-15)27-19(30)12-9-16(17-5-7-26-28-17)18(25-10-12)29-8-6-13(22)11-29/h1-5,7,9-10,13H,6,8,11H2,(H,26,28)(H,27,30).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 451.84 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 123812201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).