N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide

C22H25FN6O2 — CID 71830804

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H25FN6O2/c1-15(2)19-11-20(27-22(26-19)28-7-9-31-10-8-28)21(30)25-18-12-24-29(14-18)13-16-3-5-17(23)6-4-16/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,25,30)
InChIKeyVVPGNTTUEMHTTE-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.07
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 71830804) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID71830804
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H25FN6O2/c1-15(2)19-11-20(27-22(26-19)28-7-9-31-10-8-28)21(30)25-18-12-24-29(14-18)13-16-3-5-17(23)6-4-16/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,25,30)
InChIKeyVVPGNTTUEMHTTE-UHFFFAOYSA-N
XLogP3.07
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95744380
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
2-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylsulfanylbenzamide
CID 19409907
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 167893013
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 1223643

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide (CID 71830804) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is VVPGNTTUEMHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-15(2)19-11-20(27-22(26-19)28-7-9-31-10-8-28)21(30)25-18-12-24-29(14-18)13-16-3-5-17(23)6-4-16/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71830804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).