N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

C18H16F2N6O — CID 139027761

IUPACN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C18H16F2N6O/c1-25(18(27)12-6-23-24-7-12)14-8-26(9-14)17-15(20)16(21-10-22-17)11-2-4-13(19)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,23,24)
InChIKeyPRWXGKKOMUFFMU-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.11
Rot. Bonds4

About N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 139027761) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID139027761
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC NameN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C18H16F2N6O/c1-25(18(27)12-6-23-24-7-12)14-8-26(9-14)17-15(20)16(21-10-22-17)11-2-4-13(19)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,23,24)
InChIKeyPRWXGKKOMUFFMU-UHFFFAOYSA-N
XLogP2.11
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (CID 139027761) is N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1.
What is the InChIKey of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is PRWXGKKOMUFFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c1-25(18(27)12-6-23-24-7-12)14-8-26(9-14)17-15(20)16(21-10-22-17)11-2-4-13(19)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,23,24).
What are the key properties of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 139027761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).