3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C19H22N6O — CID 91783807

IUPAC3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(c4nnc5ccccn45)CC3)ncn2)C1
InChIInChI=1S/C19H22N6O/c26-15-9-14(10-15)16-11-18(21-12-20-16)24-7-4-13(5-8-24)19-23-22-17-3-1-2-6-25(17)19/h1-3,6,11-15,26H,4-5,7-10H2
InChIKeyMKSHNWJOJYHFRX-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.14
Rot. Bonds3

About 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91783807) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91783807
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(c4nnc5ccccn45)CC3)ncn2)C1
InChIInChI=1S/C19H22N6O/c26-15-9-14(10-15)16-11-18(21-12-20-16)24-7-4-13(5-8-24)19-23-22-17-3-1-2-6-25(17)19/h1-3,6,11-15,26H,4-5,7-10H2
InChIKeyMKSHNWJOJYHFRX-UHFFFAOYSA-N
XLogP2.14
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91783807) is 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(N3CCC(c4nnc5ccccn45)CC3)ncn2)C1.
What is the InChIKey of 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is MKSHNWJOJYHFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-15-9-14(10-15)16-11-18(21-12-20-16)24-7-4-13(5-8-24)19-23-22-17-3-1-2-6-25(17)19/h1-3,6,11-15,26H,4-5,7-10H2.
What are the key properties of 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 350.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91783807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).