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

C23H24N6S — CID 133280239

IUPAC4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
SMILESc1csc(-c2nc(N3CCCCC3c3nnc4n3CCCC4)c3ccccc3n2)c1
InChIInChI=1S/C23H24N6S/c1-2-9-17-16(8-1)22(25-21(24-17)19-11-7-15-30-19)28-13-5-3-10-18(28)23-27-26-20-12-4-6-14-29(20)23/h1-2,7-9,11,15,18H,3-6,10,12-14H2
InChIKeyNKTXHLAYSBTNAH-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-2-ylquinazoline

4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 133280239) 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-2-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-2-ylquinazoline
PubChem CID133280239
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-2-ylquinazoline
SMILESc1csc(-c2nc(N3CCCCC3c3nnc4n3CCCC4)c3ccccc3n2)c1
InChIInChI=1S/C23H24N6S/c1-2-9-17-16(8-1)22(25-21(24-17)19-11-7-15-30-19)28-13-5-3-10-18(28)23-27-26-20-12-4-6-14-29(20)23/h1-2,7-9,11,15,18H,3-6,10,12-14H2
InChIKeyNKTXHLAYSBTNAH-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-2-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-3-ylquinazoline
CID 133280230
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 133271082
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 24590562
3-(1-quinolin-4-ylpyrrolidin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75370497
ethyl 2-[(2S)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795207
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
4-(3-ethoxypiperidin-1-yl)-2-thiophen-2-ylquinazoline
CID 133274262
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
4-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 91964409
3-[1-(3-nitro-2-pyridinyl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 133280198
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

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-2-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-2-ylquinazoline (CID 133280239) is 4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-2-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-2-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-2-ylquinazoline is c1csc(-c2nc(N3CCCCC3c3nnc4n3CCCC4)c3ccccc3n2)c1.
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-2-ylquinazoline?
The InChIKey is NKTXHLAYSBTNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6S/c1-2-9-17-16(8-1)22(25-21(24-17)19-11-7-15-30-19)28-13-5-3-10-18(28)23-27-26-20-12-4-6-14-29(20)23/h1-2,7-9,11,15,18H,3-6,10,12-14H2.
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-2-ylquinazoline?
4-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-2-thiophen-2-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-2-ylquinazoline is sourced from PubChem (CID 133280239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).