[4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol

C19H25ClN2O2 — CID 167427097

IUPAC[4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESC[C@@H]1OCC[C@H]1C#Cc1cnc(Cl)cc1NC1CCC(CO)CC1
InChIInChI=1S/C19H25ClN2O2/c1-13-15(8-9-24-13)4-5-16-11-21-19(20)10-18(16)22-17-6-2-14(12-23)3-7-17/h10-11,13-15,17,23H,2-3,6-9,12H2,1H3,(H,21,22)/t13-,14?,15+,17?/m0/s1
InChIKeyZHIUVXOTWRLTBX-UJEKJILKSA-N
MW348.87 g/mol
LogP3.47
Rot. Bonds3

About [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol

[4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 167427097) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
PubChem CID167427097
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name[4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESC[C@@H]1OCC[C@H]1C#Cc1cnc(Cl)cc1NC1CCC(CO)CC1
InChIInChI=1S/C19H25ClN2O2/c1-13-15(8-9-24-13)4-5-16-11-21-19(20)10-18(16)22-17-6-2-14(12-23)3-7-17/h10-11,13-15,17,23H,2-3,6-9,12H2,1H3,(H,21,22)/t13-,14?,15+,17?/m0/s1
InChIKeyZHIUVXOTWRLTBX-UJEKJILKSA-N
XLogP3.47
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[2-chloro-5-[2-[(2R,3R)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 167427299
4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 171572637
[4-[[2-chloro-5-[2-(1-methylcyclopropyl)ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 175857987
4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol
CID 167427009
4-[[[2-chloro-5-[2-(oxolan-2-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 167426727
2-chloro-5-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl]-N-[4-[(dimethylamino)methyl]cyclohexyl]pyridin-4-amine
CID 175857986
2-chloro-5-[2-[1-(difluoromethyl)pyrazol-4-yl]ethynyl]-N-[4-[(dimethylamino)methyl]cyclohexyl]pyridin-4-amine
CID 175857976
[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167425704
4-N-[2-chloro-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-pyridinyl]-1-N-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 171572620
4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
CID 167426088
6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 176871377
[4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167426166

Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol (CID 167427097) is [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol is C[C@@H]1OCC[C@H]1C#Cc1cnc(Cl)cc1NC1CCC(CO)CC1.
What is the InChIKey of [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is ZHIUVXOTWRLTBX-UJEKJILKSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-13-15(8-9-24-13)4-5-16-11-21-19(20)10-18(16)22-17-6-2-14(12-23)3-7-17/h10-11,13-15,17,23H,2-3,6-9,12H2,1H3,(H,21,22)/t13-,14?,15+,17?/m0/s1.
What are the key properties of [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol?
[4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 348.87 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 167427097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).