N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide

C26H31FN6O2 — CID 138542248

IUPACN-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C1CCN(c2cc(F)c(-c3ccc(N4CCOCC4)cc3)cc2NC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C26H31FN6O2/c1-31(2)21-7-8-33(17-21)25-14-23(27)22(13-24(25)30-26(34)19-15-28-29-16-19)18-3-5-20(6-4-18)32-9-11-35-12-10-32/h3-6,13-16,21H,7-12,17H2,1-2H3,(H,28,29)(H,30,34)
InChIKeyJXVIFSMGTNIOGH-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.44
Rot. Bonds6

About N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide

N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 138542248) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID138542248
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC NameN-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C1CCN(c2cc(F)c(-c3ccc(N4CCOCC4)cc3)cc2NC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C26H31FN6O2/c1-31(2)21-7-8-33(17-21)25-14-23(27)22(13-24(25)30-26(34)19-15-28-29-16-19)18-3-5-20(6-4-18)32-9-11-35-12-10-32/h3-6,13-16,21H,7-12,17H2,1-2H3,(H,28,29)(H,30,34)
InChIKeyJXVIFSMGTNIOGH-UHFFFAOYSA-N
XLogP3.44
TPSA76.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 127047791
US11319299, Example 717
CID 137377608
US11319299, Example 122
CID 138551366
US11319299, Example 715
CID 138551517
US11319299, Example 177
CID 137377510
(2R)-2-amino-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)acetamide;tris(2,2,2-trifluoroacetic acid)
CID 117075422
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11177822
3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea
CID 20782364
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea
CID 20782436
(2R)-2-amino-N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)-4-(1H-pyrazol-4-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 44199120
(2R)-2-amino-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 44199122
2-amino-2-(4-chlorophenyl)-N-[5-fluoro-2-morpholin-4-yl-4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 44199242

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide (CID 138542248) is N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide is CN(C)C1CCN(c2cc(F)c(-c3ccc(N4CCOCC4)cc3)cc2NC(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JXVIFSMGTNIOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-31(2)21-7-8-33(17-21)25-14-23(27)22(13-24(25)30-26(34)19-15-28-29-16-19)18-3-5-20(6-4-18)32-9-11-35-12-10-32/h3-6,13-16,21H,7-12,17H2,1-2H3,(H,28,29)(H,30,34).
What are the key properties of N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(4-morpholin-4-ylphenyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 138542248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).