6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C25H27FN6O3 — CID 46927098

IUPAC6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCn1cc(CNC(=O)c2ccnc(NC(=O)N3CCC4(CCc5cc(F)ccc5O4)CC3)c2)cn1
InChIInChI=1S/C25H27FN6O3/c1-31-16-17(15-29-31)14-28-23(33)19-5-9-27-22(13-19)30-24(34)32-10-7-25(8-11-32)6-4-18-12-20(26)2-3-21(18)35-25/h2-3,5,9,12-13,15-16H,4,6-8,10-11,14H2,1H3,(H,28,33)(H,27,30,34)
InChIKeyYGBGLDFQYNRHAV-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.28
Rot. Bonds4

About 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 46927098) has the molecular formula C25H27FN6O3 and a molecular weight of 478.53 g/mol. Its IUPAC name is 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID46927098
Molecular FormulaC25H27FN6O3
Molecular Weight478.53 g/mol
Exact Mass478.21
IUPAC Name6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCn1cc(CNC(=O)c2ccnc(NC(=O)N3CCC4(CCc5cc(F)ccc5O4)CC3)c2)cn1
InChIInChI=1S/C25H27FN6O3/c1-31-16-17(15-29-31)14-28-23(33)19-5-9-27-22(13-19)30-24(34)32-10-7-25(8-11-32)6-4-18-12-20(26)2-3-21(18)35-25/h2-3,5,9,12-13,15-16H,4,6-8,10-11,14H2,1H3,(H,28,33)(H,27,30,34)
InChIKeyYGBGLDFQYNRHAV-UHFFFAOYSA-N
XLogP3.28
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid
CID 67122772
5-fluoro-N-[4-(methylcarbamoyl)-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxamide
CID 46927260
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485
6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 44583234
5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid
CID 67122919
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168036
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 46927098) is 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is Cn1cc(CNC(=O)c2ccnc(NC(=O)N3CCC4(CCc5cc(F)ccc5O4)CC3)c2)cn1.
What is the InChIKey of 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is YGBGLDFQYNRHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O3/c1-31-16-17(15-29-31)14-28-23(33)19-5-9-27-22(13-19)30-24(34)32-10-7-25(8-11-32)6-4-18-12-20(26)2-3-21(18)35-25/h2-3,5,9,12-13,15-16H,4,6-8,10-11,14H2,1H3,(H,28,33)(H,27,30,34).
What are the key properties of 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-pyridinyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46927098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).