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

C21H25N5O2 — CID 146343701

IUPAC6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCn1cc2c(n1)C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C21H25N5O2/c1-24-14-16-8-11-26(21(27)20(16)22-24)13-12-25-9-6-15(7-10-25)19-17-4-2-3-5-18(17)28-23-19/h2-5,14-15H,6-13H2,1H3
InChIKeySNUVZOMVUQKRMD-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.44
Rot. Bonds4

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

6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 146343701) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID146343701
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCn1cc2c(n1)C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C21H25N5O2/c1-24-14-16-8-11-26(21(27)20(16)22-24)13-12-25-9-6-15(7-10-25)19-17-4-2-3-5-18(17)28-23-19/h2-5,14-15H,6-13H2,1H3
InChIKeySNUVZOMVUQKRMD-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 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 146343701) is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is Cn1cc2c(n1)C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2.
What is the InChIKey of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is SNUVZOMVUQKRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-24-14-16-8-11-26(21(27)20(16)22-24)13-12-25-9-6-15(7-10-25)19-17-4-2-3-5-18(17)28-23-19/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-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 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 146343701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).