4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol

C19H25ClN2O2 — CID 171572637

IUPAC4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCC1OCCC1C#Cc1cnc(Cl)cc1NCC1CCC(O)CC1
InChIInChI=1S/C19H25ClN2O2/c1-13-15(8-9-24-13)4-5-16-12-22-19(20)10-18(16)21-11-14-2-6-17(23)7-3-14/h10,12-15,17,23H,2-3,6-9,11H2,1H3,(H,21,22)
InChIKeyPGSTZKBWHZAGHW-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.47
Rot. Bonds3

About 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol

4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol (PubChem CID 171572637) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
PubChem CID171572637
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCC1OCCC1C#Cc1cnc(Cl)cc1NCC1CCC(O)CC1
InChIInChI=1S/C19H25ClN2O2/c1-13-15(8-9-24-13)4-5-16-12-22-19(20)10-18(16)21-11-14-2-6-17(23)7-3-14/h10,12-15,17,23H,2-3,6-9,11H2,1H3,(H,21,22)
InChIKeyPGSTZKBWHZAGHW-UHFFFAOYSA-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-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol with MolForge

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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-(oxolan-2-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 167426727
[4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167427097
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130672
[4-[[[2-chloro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]-4-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 167427307
4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol
CID 167427009
4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130818
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106119006
[4-[[(2-chloro-5-iodo-4-pyridinyl)amino]methyl]cyclohexyl]methyl N-tert-butylcarbamate
CID 167425709
4-chloro-2-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 103269778
[4-[[2-chloro-5-[2-(1-methylcyclopropyl)ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 175857987
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148553

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol (CID 171572637) is 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol is CC1OCCC1C#Cc1cnc(Cl)cc1NCC1CCC(O)CC1.
What is the InChIKey of 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is PGSTZKBWHZAGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-13-15(8-9-24-13)4-5-16-12-22-19(20)10-18(16)21-11-14-2-6-17(23)7-3-14/h10,12-15,17,23H,2-3,6-9,11H2,1H3,(H,21,22).
What are the key properties of 4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol?
4-[[[2-chloro-5-[2-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol 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-(2-methyloxolan-3-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 171572637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).