5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C21H25N5O2 — CID 146343546

IUPAC5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCn1cc2c(n1)CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C21H25N5O2/c1-24-14-17-18(22-24)8-11-26(21(17)27)13-12-25-9-6-15(7-10-25)20-16-4-2-3-5-19(16)28-23-20/h2-5,14-15H,6-13H2,1H3
InChIKeyZXWYTZGEVHHQHK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.44
Rot. Bonds4

About 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 146343546) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID146343546
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCn1cc2c(n1)CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C21H25N5O2/c1-24-14-17-18(22-24)8-11-26(21(17)27)13-12-25-9-6-15(7-10-25)20-16-4-2-3-5-19(16)28-23-20/h2-5,14-15H,6-13H2,1H3
InChIKeyZXWYTZGEVHHQHK-UHFFFAOYSA-N
XLogP2.44
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 146343546) is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is Cn1cc2c(n1)CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O.
What is the InChIKey of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is ZXWYTZGEVHHQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-24-14-17-18(22-24)8-11-26(21(17)27)13-12-25-9-6-15(7-10-25)20-16-4-2-3-5-19(16)28-23-20/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 379.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 146343546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).