7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C25H26FN5O3S — CID 87277572

IUPAC7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1nc(NC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)sc1C(=O)N(C)c1ccccn1
InChIInChI=1S/C25H26FN5O3S/c1-16-21(22(32)30(2)20-5-3-4-12-27-20)35-23(28-16)29-24(33)31-13-10-25(11-14-31)9-8-17-6-7-18(26)15-19(17)34-25/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,28,29,33)
InChIKeyFZQDOVJGUUXHSB-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.65
Rot. Bonds3

About 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 87277572) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 g/mol. Its IUPAC name is 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID87277572
Molecular FormulaC25H26FN5O3S
Molecular Weight495.58 g/mol
Exact Mass495.17
IUPAC Name7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1nc(NC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)sc1C(=O)N(C)c1ccccn1
InChIInChI=1S/C25H26FN5O3S/c1-16-21(22(32)30(2)20-5-3-4-12-27-20)35-23(28-16)29-24(33)31-13-10-25(11-14-31)9-8-17-6-7-18(26)15-19(17)34-25/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,28,29,33)
InChIKeyFZQDOVJGUUXHSB-UHFFFAOYSA-N
XLogP4.65
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 164617361
2-(1-(2-(4-fluorophenoxy)ethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25096446
6,6-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577639
{4-[(9-Methyl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-pyridin-2-yl-methanone
CID 44460798
2-[[2-(2-Tert-butylphenoxy)pyridin-3-yl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 73353558
N-[(1S)-1-[4-[(3R)-1-[2-(2,2-difluoroethylamino)-3-fluoropyridin-4-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
CID 91668712
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
CID 91754761
US11306081, Example 151
CID 137408458
US11306081, Example 020
CID 137408491
US11306081, Example 021
CID 137408503
US11306081, Example 017
CID 137408505
US11306081, Example 013
CID 137408526

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 87277572) is 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is Cc1nc(NC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)sc1C(=O)N(C)c1ccccn1.
What is the InChIKey of 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is FZQDOVJGUUXHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c1-16-21(22(32)30(2)20-5-3-4-12-27-20)35-23(28-16)29-24(33)31-13-10-25(11-14-31)9-8-17-6-7-18(26)15-19(17)34-25/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,28,29,33).
What are the key properties of 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[4-methyl-5-[methyl(pyridin-2-yl)carbamoyl]-1,3-thiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 87277572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).