1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one

C57H42F6N18O5 — CID 158060003

IUPAC1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(N)CC1.O=c1[nH]c(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)ncc1F.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccc(F)cc3F)n2)ncc1F
InChIInChI=1S/C21H19FN8O2.C19H13F2N5O.C17H10F3N5O2/c22-13-4-2-1-3-12(13)11-30-17(14-5-8-32-29-14)9-15(28-30)19-25-10-16(18(23)27-19)26-20(31)21(24)6-7-21;20-13-6-2-1-5-12(13)11-26-17(15-7-3-4-8-22-15)9-16(25-26)18-23-10-14(21)19(27)24-18;18-10-2-1-9(11(19)5-10)8-25-15(13-3-4-27-24-13)6-14(23-25)16-21-7-12(20)17(26)22-16/h1-5,8-10H,6-7,11,24H2,(H,26,31)(H2,23,25,27);1-10H,11H2,(H,23,24,27);1-7H,8H2,(H,21,22,26)
InChIKeyFKNGSALWJGYDOQ-UHFFFAOYSA-N
MW1173.07 g/mol
LogP7.97
Rot. Bonds14

About 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one

1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 158060003) has the molecular formula C57H42F6N18O5 and a molecular weight of 1173.07 g/mol. Its IUPAC name is 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID158060003
Molecular FormulaC57H42F6N18O5
Molecular Weight1173.07 g/mol
Exact Mass1172.35
IUPAC Name1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(N)CC1.O=c1[nH]c(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)ncc1F.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccc(F)cc3F)n2)ncc1F
InChIInChI=1S/C21H19FN8O2.C19H13F2N5O.C17H10F3N5O2/c22-13-4-2-1-3-12(13)11-30-17(14-5-8-32-29-14)9-15(28-30)19-25-10-16(18(23)27-19)26-20(31)21(24)6-7-21;20-13-6-2-1-5-12(13)11-26-17(15-7-3-4-8-22-15)9-16(25-26)18-23-10-14(21)19(27)24-18;18-10-2-1-9(11(19)5-10)8-25-15(13-3-4-27-24-13)6-14(23-25)16-21-7-12(20)17(26)22-16/h1-5,8-10H,6-7,11,24H2,(H,26,31)(H2,23,25,27);1-10H,11H2,(H,23,24,27);1-7H,8H2,(H,21,22,26)
InChIKeyFKNGSALWJGYDOQ-UHFFFAOYSA-N
XLogP7.97
TPSA316.83 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.07
LogP ≤ 57.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267519
1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-one
CID 118233387
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684455
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
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
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-piperidin-3-ylpyrimidin-4-amine
CID 90445799
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
2-acetamido-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]acetamide
CID 90445897
3-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propanamide
CID 90445909
1-[[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide
CID 90445971

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one (CID 158060003) is 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one is Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(N)CC1.O=c1[nH]c(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)ncc1F.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccc(F)cc3F)n2)ncc1F.
What is the InChIKey of 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is FKNGSALWJGYDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O2.C19H13F2N5O.C17H10F3N5O2/c22-13-4-2-1-3-12(13)11-30-17(14-5-8-32-29-14)9-15(28-30)19-25-10-16(18(23)27-19)26-20(31)21(24)6-7-21;20-13-6-2-1-5-12(13)11-26-17(15-7-3-4-8-22-15)9-16(25-26)18-23-10-14(21)19(27)24-18;18-10-2-1-9(11(19)5-10)8-25-15(13-3-4-27-24-13)6-14(23-25)16-21-7-12(20)17(26)22-16/h1-5,8-10H,6-7,11,24H2,(H,26,31)(H2,23,25,27);1-10H,11H2,(H,23,24,27);1-7H,8H2,(H,21,22,26).
What are the key properties of 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one?
1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 1173.07 g/mol, XLogP of 7.97, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]cyclopropane-1-carboxamide;2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 158060003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).