1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

C22H23N7 — CID 58547233

IUPAC1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESCc1cccc2cnc(N3CC(c4nccnc4N4CCC(C#N)CC4)C3)nc12
InChIInChI=1S/C22H23N7/c1-15-3-2-4-17-12-26-22(27-19(15)17)29-13-18(14-29)20-21(25-8-7-24-20)28-9-5-16(11-23)6-10-28/h2-4,7-8,12,16,18H,5-6,9-10,13-14H2,1H3
InChIKeyMEDPXRXSZBLWDY-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.07
Rot. Bonds3

About 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 58547233) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID58547233
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESCc1cccc2cnc(N3CC(c4nccnc4N4CCC(C#N)CC4)C3)nc12
InChIInChI=1S/C22H23N7/c1-15-3-2-4-17-12-26-22(27-19(15)17)29-13-18(14-29)20-21(25-8-7-24-20)28-9-5-16(11-23)6-10-28/h2-4,7-8,12,16,18H,5-6,9-10,13-14H2,1H3
InChIKeyMEDPXRXSZBLWDY-UHFFFAOYSA-N
XLogP3.07
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (CID 58547233) is 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is Cc1cccc2cnc(N3CC(c4nccnc4N4CCC(C#N)CC4)C3)nc12.
What is the InChIKey of 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is MEDPXRXSZBLWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-15-3-2-4-17-12-26-22(27-19(15)17)29-13-18(14-29)20-21(25-8-7-24-20)28-9-5-16(11-23)6-10-28/h2-4,7-8,12,16,18H,5-6,9-10,13-14H2,1H3.
What are the key properties of 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 385.48 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(8-methylquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 58547233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).