1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

C23H24N6 — CID 58547222

IUPAC1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESCc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccccc12
InChIInChI=1S/C23H24N6/c1-16-12-21(27-20-5-3-2-4-19(16)20)29-14-18(15-29)22-23(26-9-8-25-22)28-10-6-17(13-24)7-11-28/h2-5,8-9,12,17-18H,6-7,10-11,14-15H2,1H3
InChIKeyPVEPUXMXFJQFAX-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.68
Rot. Bonds3

About 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 58547222) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID58547222
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESCc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccccc12
InChIInChI=1S/C23H24N6/c1-16-12-21(27-20-5-3-2-4-19(16)20)29-14-18(15-29)22-23(26-9-8-25-22)28-10-6-17(13-24)7-11-28/h2-5,8-9,12,17-18H,6-7,10-11,14-15H2,1H3
InChIKeyPVEPUXMXFJQFAX-UHFFFAOYSA-N
XLogP3.68
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Panulisib
CID 56947515
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
N'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
CID 66556536
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
US20240368153, Example 2-7
CID 165416400
2-{4-[3-(6-Methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl}-5-phenylnicotinonitrile
CID 87550659
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
CID 820817
2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline
CID 70648564
4,8-Dimethyl-2-[4-(2-pyrimidinyl)piperazino]quinoline
CID 1488106
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CID 7033665

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (CID 58547222) is 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is Cc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccccc12.
What is the InChIKey of 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is PVEPUXMXFJQFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-16-12-21(27-20-5-3-2-4-19(16)20)29-14-18(15-29)22-23(26-9-8-25-22)28-10-6-17(13-24)7-11-28/h2-5,8-9,12,17-18H,6-7,10-11,14-15H2,1H3.
What are the key properties of 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 384.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 58547222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).