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

C66H50ClF5N20O5S — CID 160877626

About 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

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 (PubChem CID 160877626) has the molecular formula C66H50ClF5N20O5S and a molecular weight of 1365.77 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160877626
• Molecular Formula: C66H50ClF5N20O5S
• Molecular Weight: 1365.77 g/mol
• Exact Mass: 1364.36
• IUPAC Name: 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
• SMILES: Cl.Nc1cnc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)nc1N.Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(c2ccccc2F)CC1.O=c1[nH]c(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1Sc1ccccn1
• InChI: InChI=1S/C27H21F2N7O2.C22H15FN6O2S.C17H13F2N7O.ClH/c28-18-7-3-1-5-16(18)15-36-23(20-9-12-38-35-20)13-21(34-36)25-31-14-22(24(30)33-25)32-26(37)27(10-11-27)17-6-2-4-8-19(17)29;23-15-6-2-1-5-14(15)13-29-17(22-25-9-10-31-22)11-16(28-29)20-26-12-18(21(30)27-20)32-19-7-3-4-8-24-19;18-10-3-1-2-9(15(10)19)8-26-14(12-4-5-27-25-12)6-13(24-26)17-22-7-11(20)16(21)23-17;/h1-9,12-14H,10-11,15H2,(H,32,37)(H2,30,31,33);1-12H,13H2,(H,26,27,30);1-7H,8,20H2,(H2,21,22,23);1H
• InChIKey: IHZLNENGGANJIK-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 348.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.77
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cl.Nc1cnc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)nc1N.Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(c2ccccc2F)CC1.O=c1[nH]c(-c2cc(-c3ncco3)n(Cc3ccccc3F)n2)ncc1Sc1ccccn1.

What is the InChIKey of 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?

The InChIKey is IHZLNENGGANJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7O2.C22H15FN6O2S.C17H13F2N7O.ClH/c28-18-7-3-1-5-16(18)15-36-23(20-9-12-38-35-20)13-21(34-36)25-31-14-22(24(30)33-25)32-26(37)27(10-11-27)17-6-2-4-8-19(17)29;23-15-6-2-1-5-14(15)13-29-17(22-25-9-10-31-22)11-16(28-29)20-26-12-18(21(30)27-20)32-19-7-3-4-8-24-19;18-10-3-1-2-9(15(10)19)8-26-14(12-4-5-27-25-12)6-13(24-26)17-22-7-11(20)16(21)23-17;/h1-9,12-14H,10-11,15H2,(H,32,37)(H2,30,31,33);1-12H,13H2,(H,26,27,30);1-7H,8,20H2,(H2,21,22,23);1H.

What are the key properties of 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?

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 has a molecular weight of 1365.77 g/mol, XLogP of 11.50, 17 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160877626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).