N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide

C32H34FN5O2 — CID 159556474

IUPACN-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
SMILESCN(CC1CCCCC1)C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CCC3=O)c3cc(F)cc(c32)C1
InChIInChI=1S/C32H34FN5O2/c1-35(18-21-7-3-2-4-8-21)32(40)37-14-13-36-20-26(25-16-23(33)15-22(19-37)31(25)36)30-24(10-11-28(30)39)27-17-34-29-9-5-6-12-38(27)29/h5-6,9,12,15-17,20-21H,2-4,7-8,10-11,13-14,18-19H2,1H3
InChIKeyCWRUAHZNVZMLDJ-UHFFFAOYSA-N
MW539.66 g/mol
LogP6.15
Rot. Bonds4

About N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide

N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 159556474) has the molecular formula C32H34FN5O2 and a molecular weight of 539.66 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
PubChem CID159556474
Molecular FormulaC32H34FN5O2
Molecular Weight539.66 g/mol
Exact Mass539.27
IUPAC NameN-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
SMILESCN(CC1CCCCC1)C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CCC3=O)c3cc(F)cc(c32)C1
InChIInChI=1S/C32H34FN5O2/c1-35(18-21-7-3-2-4-8-21)32(40)37-14-13-36-20-26(25-16-23(33)15-22(19-37)31(25)36)30-24(10-11-28(30)39)27-17-34-29-9-5-6-12-38(27)29/h5-6,9,12,15-17,20-21H,2-4,7-8,10-11,13-14,18-19H2,1H3
InChIKeyCWRUAHZNVZMLDJ-UHFFFAOYSA-N
XLogP6.15
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide with MolForge

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Related Compounds

3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
CID 158740104
2-[6-fluoro-10-(2,2,6,6-tetrafluoromorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
CID 161105979
2-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
CID 159866879
3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
CID 158661150
10-[4-(dimethylamino)piperidine-1-carbonyl]-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 161419235
4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
CID 157228981
10-(3-fluoro-3-methylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 160524188
6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
CID 155176929
5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one
CID 155176721
3-[6-fluoro-10-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 135275088
4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 135275107
4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 146566034

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide (CID 159556474) is N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide is CN(CC1CCCCC1)C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CCC3=O)c3cc(F)cc(c32)C1.
What is the InChIKey of N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?
The InChIKey is CWRUAHZNVZMLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O2/c1-35(18-21-7-3-2-4-8-21)32(40)37-14-13-36-20-26(25-16-23(33)15-22(19-37)31(25)36)30-24(10-11-28(30)39)27-17-34-29-9-5-6-12-38(27)29/h5-6,9,12,15-17,20-21H,2-4,7-8,10-11,13-14,18-19H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?
N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 539.66 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 159556474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).