[1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol

C25H33N5O — CID 144576781

IUPAC[1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol
SMILESC=C(N/N=N/C)c1c(C2(CO)CCCC2)nc2c(c1-c1ccnc(C)c1)CCCCC2
InChIInChI=1S/C25H33N5O/c1-17-15-19(11-14-27-17)23-20-9-5-4-6-10-21(20)28-24(22(23)18(2)29-30-26-3)25(16-31)12-7-8-13-25/h11,14-15,31H,2,4-10,12-13,16H2,1,3H3,(H,26,29)
InChIKeyGASQJEPVTZFHEN-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.08
Rot. Bonds6

About [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol

[1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol (PubChem CID 144576781) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol
PubChem CID144576781
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name[1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol
SMILESC=C(N/N=N/C)c1c(C2(CO)CCCC2)nc2c(c1-c1ccnc(C)c1)CCCCC2
InChIInChI=1S/C25H33N5O/c1-17-15-19(11-14-27-17)23-20-9-5-4-6-10-21(20)28-24(22(23)18(2)29-30-26-3)25(16-31)12-7-8-13-25/h11,14-15,31H,2,4-10,12-13,16H2,1,3H3,(H,26,29)
InChIKeyGASQJEPVTZFHEN-UHFFFAOYSA-N
XLogP5.08
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol with MolForge

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Related Compounds

4-(2-methyl-4-pyridinyl)-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid
CID 90042400
2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043658
2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 118589047
cycloheptanone;2-(3,3-difluorocyclobutyl)-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 159613071
4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 118589209
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
CID 106753929
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79235812
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908
4-(3-chlorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043177
N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
CID 711450
2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]ethanol
CID 12798330

Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol?
The IUPAC name of [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol (CID 144576781) is [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol?
The canonical SMILES for [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol is C=C(N/N=N/C)c1c(C2(CO)CCCC2)nc2c(c1-c1ccnc(C)c1)CCCCC2.
What is the InChIKey of [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol?
The InChIKey is GASQJEPVTZFHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-17-15-19(11-14-27-17)23-20-9-5-4-6-10-21(20)28-24(22(23)18(2)29-30-26-3)25(16-31)12-7-8-13-25/h11,14-15,31H,2,4-10,12-13,16H2,1,3H3,(H,26,29).
What are the key properties of [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol?
[1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol has a molecular weight of 419.57 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[1-(2-methyliminohydrazinyl)ethenyl]-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 144576781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).