4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide

C17H22FN5O2 — CID 118485064

IUPAC4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F
InChIInChI=1S/C17H22FN5O2/c1-10(2)7-13-15(18)16(23-22-13)17(24)21-11-3-4-12(20-8-11)14-9-19-5-6-25-14/h3-4,8,10,14,19H,5-7,9H2,1-2H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeyFOJVNZHBOMRYOM-CQSZACIVSA-N
MW347.39 g/mol
LogP2.06
Rot. Bonds5

About 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide

4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (PubChem CID 118485064) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
PubChem CID118485064
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F
InChIInChI=1S/C17H22FN5O2/c1-10(2)7-13-15(18)16(23-22-13)17(24)21-11-3-4-12(20-8-11)14-9-19-5-6-25-14/h3-4,8,10,14,19H,5-7,9H2,1-2H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeyFOJVNZHBOMRYOM-CQSZACIVSA-N
XLogP2.06
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (CID 118485064) is 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is CC(C)Cc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F.
What is the InChIKey of 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FOJVNZHBOMRYOM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-10(2)7-13-15(18)16(23-22-13)17(24)21-11-3-4-12(20-8-11)14-9-19-5-6-25-14/h3-4,8,10,14,19H,5-7,9H2,1-2H3,(H,21,24)(H,22,23)/t14-/m1/s1.
What are the key properties of 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-methylpropyl)-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118485064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).