5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol

C21H27ClN6O2 — CID 171659421

IUPAC5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
SMILESNc1ncc(Cl)c(-c2cnn3cc(C4CCNCC4)ccc23)n1.OC1CCCOC1
InChIInChI=1S/C16H17ClN6.C5H10O2/c17-13-8-20-16(18)22-15(13)12-7-21-23-9-11(1-2-14(12)23)10-3-5-19-6-4-10;6-5-2-1-3-7-4-5/h1-2,7-10,19H,3-6H2,(H2,18,20,22);5-6H,1-4H2
InChIKeyIZHQXOHAHOZQFS-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.65
Rot. Bonds2

About 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol

5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol (PubChem CID 171659421) has the molecular formula C21H27ClN6O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
PubChem CID171659421
Molecular FormulaC21H27ClN6O2
Molecular Weight430.94 g/mol
Exact Mass430.19
IUPAC Name5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
SMILESNc1ncc(Cl)c(-c2cnn3cc(C4CCNCC4)ccc23)n1.OC1CCCOC1
InChIInChI=1S/C16H17ClN6.C5H10O2/c17-13-8-20-16(18)22-15(13)12-7-21-23-9-11(1-2-14(12)23)10-3-5-19-6-4-10;6-5-2-1-3-7-4-5/h1-2,7-10,19H,3-6H2,(H2,18,20,22);5-6H,1-4H2
InChIKeyIZHQXOHAHOZQFS-UHFFFAOYSA-N
XLogP2.65
TPSA110.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol (CID 171659421) is 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol is Nc1ncc(Cl)c(-c2cnn3cc(C4CCNCC4)ccc23)n1.OC1CCCOC1.
What is the InChIKey of 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol?
The InChIKey is IZHQXOHAHOZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6.C5H10O2/c17-13-8-20-16(18)22-15(13)12-7-21-23-9-11(1-2-14(12)23)10-3-5-19-6-4-10;6-5-2-1-3-7-4-5/h1-2,7-10,19H,3-6H2,(H2,18,20,22);5-6H,1-4H2.
What are the key properties of 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol?
5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol has a molecular weight of 430.94 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol is sourced from PubChem (CID 171659421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).