5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide

C22H19FN6O3 — CID 42236573

IUPAC5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccon4)c3C3CC3)n2)cc1F
InChIInChI=1S/C22H19FN6O3/c1-31-19-5-4-14(10-17(19)23)18-6-8-24-22(27-18)29-20(13-2-3-13)16(12-26-29)21(30)25-11-15-7-9-32-28-15/h4-10,12-13H,2-3,11H2,1H3,(H,25,30)
InChIKeyBSTOHCLNIBHYJX-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.27
Rot. Bonds7

About 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42236573) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42236573
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Name5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccon4)c3C3CC3)n2)cc1F
InChIInChI=1S/C22H19FN6O3/c1-31-19-5-4-14(10-17(19)23)18-6-8-24-22(27-18)29-20(13-2-3-13)16(12-26-29)21(30)25-11-15-7-9-32-28-15/h4-10,12-13H,2-3,11H2,1H3,(H,25,30)
InChIKeyBSTOHCLNIBHYJX-UHFFFAOYSA-N
XLogP3.27
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094056
3-[3-(5-Fluoro-4-methoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 71622289
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methylpyrimidin-4-amine
CID 90446443
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
3-[3-[4-(Cyclopropylmethoxy)-5-fluoropyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 118965725
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59758109
N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide
CID 86267731
2,6-Difluoro-4-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]phenol
CID 86269578
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 90445735
2,2,2-trifluoro-N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]acetamide
CID 90445739
3,3,3-trifluoro-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propanamide
CID 90445860
N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide
CID 90445875

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide (CID 42236573) is 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide is COc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccon4)c3C3CC3)n2)cc1F.
What is the InChIKey of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is BSTOHCLNIBHYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O3/c1-31-19-5-4-14(10-17(19)23)18-6-8-24-22(27-18)29-20(13-2-3-13)16(12-26-29)21(30)25-11-15-7-9-32-28-15/h4-10,12-13H,2-3,11H2,1H3,(H,25,30).
What are the key properties of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42236573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).