N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide

C15H17F2N5O2 — CID 167893013

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C15H17F2N5O2/c16-14(17)10-22-9-11(8-19-22)20-15(23)13-7-12(1-2-18-13)21-3-5-24-6-4-21/h1-2,7-9,14H,3-6,10H2,(H,20,23)
InChIKeyWHWWGLQNKVBJRF-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.63
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 167893013) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID167893013
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C15H17F2N5O2/c16-14(17)10-22-9-11(8-19-22)20-15(23)13-7-12(1-2-18-13)21-3-5-24-6-4-21/h1-2,7-9,14H,3-6,10H2,(H,20,23)
InChIKeyWHWWGLQNKVBJRF-UHFFFAOYSA-N
XLogP1.63
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide
CID 138043224
N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
N-(2-methyl-3-pyrazol-1-ylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804622
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
CID 86783234
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830804
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 136564579
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 136534503
N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 99634295

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 167893013) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide is O=C(Nc1cnn(CC(F)F)c1)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is WHWWGLQNKVBJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c16-14(17)10-22-9-11(8-19-22)20-15(23)13-7-12(1-2-18-13)21-3-5-24-6-4-21/h1-2,7-9,14H,3-6,10H2,(H,20,23).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 167893013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).