3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C25H21ClF2N6O3 — CID 67330876

IUPAC3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3Cl)cc2)n(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C25H21ClF2N6O3/c1-13(2)19-12-21(34(33-19)17-10-14(27)9-15(28)11-17)32-25(36)31-16-3-5-18(6-4-16)37-20-7-8-30-23(22(20)26)24(29)35/h3-13H,1-2H3,(H2,29,35)(H2,31,32,36)
InChIKeyOJIIRZWMGCNIQX-UHFFFAOYSA-N
MW526.93 g/mol
LogP5.86
Rot. Bonds7

About 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 67330876) has the molecular formula C25H21ClF2N6O3 and a molecular weight of 526.93 g/mol. Its IUPAC name is 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID67330876
Molecular FormulaC25H21ClF2N6O3
Molecular Weight526.93 g/mol
Exact Mass526.13
IUPAC Name3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3Cl)cc2)n(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C25H21ClF2N6O3/c1-13(2)19-12-21(34(33-19)17-10-14(27)9-15(28)11-17)32-25(36)31-16-3-5-18(6-4-16)37-20-7-8-30-23(22(20)26)24(29)35/h3-13H,1-2H3,(H2,29,35)(H2,31,32,36)
InChIKeyOJIIRZWMGCNIQX-UHFFFAOYSA-N
XLogP5.86
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.93
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385436
1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea
CID 69149423
1-[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl]-3-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]urea
CID 16730957
4-[4-[[1-(1,3-benzothiazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69295346
N-methyl-4-[4-[(3-propan-2-yl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 69296990
3-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 71542471
ethyl 4-[5-[(4-chlorophenyl)carbamoylamino]-3-propan-2-ylpyrazol-1-yl]benzoate
CID 58011072
4-[4-[[3-tert-butyl-1-(3,5-difluorophenyl)-4-methylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385263
N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 69295363
1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 143465784
N-[4-[4-[[1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 69295501
4-[4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 67330876) is 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3Cl)cc2)n(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is OJIIRZWMGCNIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O3/c1-13(2)19-12-21(34(33-19)17-10-14(27)9-15(28)11-17)32-25(36)31-16-3-5-18(6-4-16)37-20-7-8-30-23(22(20)26)24(29)35/h3-13H,1-2H3,(H2,29,35)(H2,31,32,36).
What are the key properties of 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 526.93 g/mol, XLogP of 5.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 67330876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).