(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone

C29H34Cl2N4O2 — CID 145166913

IUPAC(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone
SMILESCc1ncn2c(C(=O)C3CCCCC3)cc(Cl)cc12.OC(c1cc(Cl)cc2cncn12)C1CCCCC1
InChIInChI=1S/C15H17ClN2O.C14H17ClN2O/c1-10-13-7-12(16)8-14(18(13)9-17-10)15(19)11-5-3-2-4-6-11;15-11-6-12-8-16-9-17(12)13(7-11)14(18)10-4-2-1-3-5-10/h7-9,11H,2-6H2,1H3;6-10,14,18H,1-5H2
InChIKeyBYPPLEXGEGJKDX-UHFFFAOYSA-N
MW541.52 g/mol
LogP7.66
Rot. Bonds4

About (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone

(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone (PubChem CID 145166913) has the molecular formula C29H34Cl2N4O2 and a molecular weight of 541.52 g/mol. Its IUPAC name is (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone
PubChem CID145166913
Molecular FormulaC29H34Cl2N4O2
Molecular Weight541.52 g/mol
Exact Mass540.21
IUPAC Name(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone
SMILESCc1ncn2c(C(=O)C3CCCCC3)cc(Cl)cc12.OC(c1cc(Cl)cc2cncn12)C1CCCCC1
InChIInChI=1S/C15H17ClN2O.C14H17ClN2O/c1-10-13-7-12(16)8-14(18(13)9-17-10)15(19)11-5-3-2-4-6-11;15-11-6-12-8-16-9-17(12)13(7-11)14(18)10-4-2-1-3-5-10/h7-9,11H,2-6H2,1H3;6-10,14,18H,1-5H2
InChIKeyBYPPLEXGEGJKDX-UHFFFAOYSA-N
XLogP7.66
TPSA71.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.52
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone with MolForge

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Related Compounds

4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76285806
4-(5-chloropyridin-3-yl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90236161
4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[methyl(phenyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76287754
2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90236227
4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90236269
4-(5-Chloro-3-pyridinyl)-2-[2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 123310739
[7-Chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol
CID 138612184
Magnesium;cyclohexane;cyclohexyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(trifluoromethyl)imidazo[1,5-a]pyridine-5-carbaldehyde;[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;chloride
CID 157525836
4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;methane
CID 158471224
1-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 161349016
Magnesium;cyclohexane;cyclohexyl-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;hydride;methane;7-(trifluoromethyl)imidazo[1,5-a]pyridine-5-carbaldehyde;hydrochloride
CID 161913149
2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 134145375

Frequently Asked Questions

What is the IUPAC name of (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone?
The IUPAC name of (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone (CID 145166913) is (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone.
What is the SMILES notation for (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone?
The canonical SMILES for (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone is Cc1ncn2c(C(=O)C3CCCCC3)cc(Cl)cc12.OC(c1cc(Cl)cc2cncn12)C1CCCCC1.
What is the InChIKey of (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone?
The InChIKey is BYPPLEXGEGJKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O.C14H17ClN2O/c1-10-13-7-12(16)8-14(18(13)9-17-10)15(19)11-5-3-2-4-6-11;15-11-6-12-8-16-9-17(12)13(7-11)14(18)10-4-2-1-3-5-10/h7-9,11H,2-6H2,1H3;6-10,14,18H,1-5H2.
What are the key properties of (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone?
(7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone has a molecular weight of 541.52 g/mol, XLogP of 7.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone is sourced from PubChem (CID 145166913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).