4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline

C23H24N6S — CID 133280230

IUPAC4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
SMILESc1ccc2c(N3CCCCC3c3nnc4n3CCCC4)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C23H24N6S/c1-2-8-18-17(7-1)22(25-21(24-18)16-11-14-30-15-16)28-12-5-3-9-19(28)23-27-26-20-10-4-6-13-29(20)23/h1-2,7-8,11,14-15,19H,3-6,9-10,12-13H2
InChIKeyMXGBFRYQTVGTSW-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.02
Rot. Bonds3

About 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline

4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline (PubChem CID 133280230) has the molecular formula C23H24N6S and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
PubChem CID133280230
Molecular FormulaC23H24N6S
Molecular Weight416.55 g/mol
Exact Mass416.18
IUPAC Name4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
SMILESc1ccc2c(N3CCCCC3c3nnc4n3CCCC4)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C23H24N6S/c1-2-8-18-17(7-1)22(25-21(24-18)16-11-14-30-15-16)28-12-5-3-9-19(28)23-27-26-20-10-4-6-13-29(20)23/h1-2,7-8,11,14-15,19H,3-6,9-10,12-13H2
InChIKeyMXGBFRYQTVGTSW-UHFFFAOYSA-N
XLogP5.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline with MolForge

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Related Compounds

4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
CID 133280239
5-phenyl-2-pyridin-3-yl-4-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 55855653
3-(1-quinolin-4-ylpyrrolidin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75370497
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133292066
2-thiophen-3-yl-4-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
CID 75370030
azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
5-phenyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 133481705
N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 49431387
4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
1-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 51938558
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922
N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine
CID 40952403

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline?
The IUPAC name of 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline (CID 133280230) is 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline?
The canonical SMILES for 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline is c1ccc2c(N3CCCCC3c3nnc4n3CCCC4)nc(-c3ccsc3)nc2c1.
What is the InChIKey of 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline?
The InChIKey is MXGBFRYQTVGTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6S/c1-2-8-18-17(7-1)22(25-21(24-18)16-11-14-30-15-16)28-12-5-3-9-19(28)23-27-26-20-10-4-6-13-29(20)23/h1-2,7-8,11,14-15,19H,3-6,9-10,12-13H2.
What are the key properties of 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline?
4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline has a molecular weight of 416.55 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 133280230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).