4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline

C23H23N7 — CID 133292066

IUPAC4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
SMILESc1ccc2c(N3CCCC(c4nnc5n4CCC5)C3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C23H23N7/c1-2-7-19-18(6-1)23(26-21(25-19)16-9-11-24-12-10-16)29-13-3-5-17(15-29)22-28-27-20-8-4-14-30(20)22/h1-2,6-7,9-12,17H,3-5,8,13-15H2
InChIKeyYKLFSUWDQOIZMJ-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.61
Rot. Bonds3

About 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline

4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline (PubChem CID 133292066) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
PubChem CID133292066
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
SMILESc1ccc2c(N3CCCC(c4nnc5n4CCC5)C3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C23H23N7/c1-2-7-19-18(6-1)23(26-21(25-19)16-9-11-24-12-10-16)29-13-3-5-17(15-29)22-28-27-20-8-4-14-30(20)22/h1-2,6-7,9-12,17H,3-5,8,13-15H2
InChIKeyYKLFSUWDQOIZMJ-UHFFFAOYSA-N
XLogP3.61
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline with MolForge

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Related Compounds

1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
3-(1-quinolin-4-ylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75370498
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
CID 142582671
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 133315668
2-pyridin-3-yl-4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 16583393
4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133396172
3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133292022
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline?
The IUPAC name of 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) is 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline is c1ccc2c(N3CCCC(c4nnc5n4CCC5)C3)nc(-c3ccncc3)nc2c1.
What is the InChIKey of 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline?
The InChIKey is YKLFSUWDQOIZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-2-7-19-18(6-1)23(26-21(25-19)16-9-11-24-12-10-16)29-13-3-5-17(15-29)22-28-27-20-8-4-14-30(20)22/h1-2,6-7,9-12,17H,3-5,8,13-15H2.
What are the key properties of 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline?
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline has a molecular weight of 397.49 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 133292066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).