[1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C18H22ClN5O — CID 58546906

IUPAC[1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ccc(Cl)cn3)C2)CC1
InChIInChI=1S/C18H22ClN5O/c19-15-1-2-16(22-9-15)24-10-14(11-24)17-18(21-6-5-20-17)23-7-3-13(12-25)4-8-23/h1-2,5-6,9,13-14,25H,3-4,7-8,10-12H2
InChIKeyPPTQERYEOVAAAI-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.34
Rot. Bonds4

About [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58546906) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58546906
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name[1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ccc(Cl)cn3)C2)CC1
InChIInChI=1S/C18H22ClN5O/c19-15-1-2-16(22-9-15)24-10-14(11-24)17-18(21-6-5-20-17)23-7-3-13(12-25)4-8-23/h1-2,5-6,9,13-14,25H,3-4,7-8,10-12H2
InChIKeyPPTQERYEOVAAAI-UHFFFAOYSA-N
XLogP2.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-((5-(6-((3-Chlorophenyl)amino)pyrazinyl)-3-pyridinyl)amino)-1-propanol
CID 5330387
Pyrazine-Pyridine Biheteroaryl 39
CID 5330388
3-[(6-{6-[(3-Chlorophenyl)amino]pyrazin-2-yl}pyrazin-2-yl)amino]propan-1-ol
CID 5330401
Pyrazine-Pyridine deriv. 47
CID 5330403
Pyrazine-Pyridine deriv. 51
CID 5330404
Pyrazine-Pyridine Biheteroaryl 19
CID 5330361
Pyrazine-Pyridine Biheteroaryl 79
CID 5330396
2-(4-(6-(Pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-yl)piperazin-1-yl)ethanol
CID 46216813
2-(4-(3-(Dimethylamino)-6-(pyridin-4-yl)pyrazin-2-yl)piperazin-1-yl)ethanol
CID 46230175
[1-[3-[1-(7-Chloroquinoxalin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 58546776
[1-[3-[1-(7-Chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 58547019
4-[[5-Chloro-4-[6-[methyl(oxan-4-ylmethyl)amino]pyrazin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 68405079

Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 58546906) is [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2C2CN(c3ccc(Cl)cn3)C2)CC1.
What is the InChIKey of [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is PPTQERYEOVAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c19-15-1-2-16(22-9-15)24-10-14(11-24)17-18(21-6-5-20-17)23-7-3-13(12-25)4-8-23/h1-2,5-6,9,13-14,25H,3-4,7-8,10-12H2.
What are the key properties of [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 359.86 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58546906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).