N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide

C22H19F2N7O2 — CID 71621738

IUPACN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4cccc(F)c4F)n3)nc2N)CC1
InChIInChI=1S/C22H19F2N7O2/c1-22(6-7-22)21(32)27-16-10-26-20(28-19(16)25)15-9-17(14-5-8-33-30-14)31(29-15)11-12-3-2-4-13(23)18(12)24/h2-5,8-10H,6-7,11H2,1H3,(H,27,32)(H2,25,26,28)
InChIKeyLHFTXPQVBMXNBQ-UHFFFAOYSA-N
MW451.44 g/mol
LogP3.64
Rot. Bonds6

About N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide

N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide (PubChem CID 71621738) has the molecular formula C22H19F2N7O2 and a molecular weight of 451.44 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide
PubChem CID71621738
Molecular FormulaC22H19F2N7O2
Molecular Weight451.44 g/mol
Exact Mass451.16
IUPAC NameN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4cccc(F)c4F)n3)nc2N)CC1
InChIInChI=1S/C22H19F2N7O2/c1-22(6-7-22)21(32)27-16-10-26-20(28-19(16)25)15-9-17(14-5-8-33-30-14)31(29-15)11-12-3-2-4-13(23)18(12)24/h2-5,8-10H,6-7,11H2,1H3,(H,27,32)(H2,25,26,28)
InChIKeyLHFTXPQVBMXNBQ-UHFFFAOYSA-N
XLogP3.64
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-fluorocyclopropane-1-carboxamide
CID 71622426
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-[(dimethylamino)methyl]benzamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine;hydrochloride
CID 160815324
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-methyl-2-phenoxypropanamide
CID 68642150
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-hydroxyadamantane-1-carboxamide;2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]acetonitrile;3-[1-[(2-fluorophenyl)methyl]-3-(7-methylpurin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 162241292
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-5-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 87527964
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-5-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one;hydrochloride
CID 160877626
cyclohexanecarboxylic acid;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 144707681
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(4-methyloxan-4-yl)pyrimidin-4-amine
CID 90446389
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-cyanocyclopropane-1-carboxamide
CID 71622705
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine
CID 56597271
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-hydroxypropanamide
CID 123568614
ethyl 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxymethyl]cyclopropane-1-carboxylate
CID 118965743

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide (CID 71621738) is N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4cccc(F)c4F)n3)nc2N)CC1.
What is the InChIKey of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is LHFTXPQVBMXNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O2/c1-22(6-7-22)21(32)27-16-10-26-20(28-19(16)25)15-9-17(14-5-8-33-30-14)31(29-15)11-12-3-2-4-13(23)18(12)24/h2-5,8-10H,6-7,11H2,1H3,(H,27,32)(H2,25,26,28).
What are the key properties of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide?
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 451.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71621738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).