[1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol

C22H26N6O — CID 54671147

IUPAC[1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2NC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H26N6O/c29-15-16-7-11-27(12-8-16)22-21(23-9-10-24-22)25-18-13-28(14-18)20-6-5-17-3-1-2-4-19(17)26-20/h1-6,9-10,16,18,29H,7-8,11-15H2,(H,23,25)
InChIKeyARTLREOXVDAJBM-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.53
Rot. Bonds5

About [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 54671147) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID54671147
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2NC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H26N6O/c29-15-16-7-11-27(12-8-16)22-21(23-9-10-24-22)25-18-13-28(14-18)20-6-5-17-3-1-2-4-19(17)26-20/h1-6,9-10,16,18,29H,7-8,11-15H2,(H,23,25)
InChIKeyARTLREOXVDAJBM-UHFFFAOYSA-N
XLogP2.53
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[1-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}pyrazin-2-Yl)piperidin-4-Yl]methanol
CID 58547833
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
[1-[6-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547807
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
Pyrazine-Pyridine Biheteroaryl 32
CID 5330365
N-(pyridin-2-ylmethyl)quinolin-2-amine
CID 873112
3-[6-(4-Hydroxy-piperidin-1-yl)-[1,7]naphthyridin-8-yl]-benzonitrile
CID 9973904
1-[8-(3-Fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
CID 9999401
4-[7-(4-Dimethylamino-phenyl)-[1,6]naphthyridin-5-ylamino]-butan-1-ol
CID 10286667
3-(7-(3-(Trifluoromethyl)pyridin-2-yl)-4-(6-(trifluoromethyl)pyridin-3-ylamino)quinazolin-2-yl)propan-1-ol
CID 10323420

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol (CID 54671147) is [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2NC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is ARTLREOXVDAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-15-16-7-11-27(12-8-16)22-21(23-9-10-24-22)25-18-13-28(14-18)20-6-5-17-3-1-2-4-19(17)26-20/h1-6,9-10,16,18,29H,7-8,11-15H2,(H,23,25).
What are the key properties of [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 390.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(1-quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 54671147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).