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

C23H29N5O2 — CID 146343686

IUPAC5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one
SMILESCC(C)n1ncc2c1CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C23H29N5O2/c1-16(2)28-20-9-12-27(23(29)19(20)15-24-28)14-13-26-10-7-17(8-11-26)22-18-5-3-4-6-21(18)30-25-22/h3-6,15-17H,7-14H2,1-2H3
InChIKeyJMWQRQAFJVAVHH-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.48
Rot. Bonds5

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

5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one (PubChem CID 146343686) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one
PubChem CID146343686
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one
SMILESCC(C)n1ncc2c1CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C23H29N5O2/c1-16(2)28-20-9-12-27(23(29)19(20)15-24-28)14-13-26-10-7-17(8-11-26)22-18-5-3-4-6-21(18)30-25-22/h3-6,15-17H,7-14H2,1-2H3
InChIKeyJMWQRQAFJVAVHH-UHFFFAOYSA-N
XLogP3.48
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one (CID 146343686) is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one is CC(C)n1ncc2c1CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O.
What is the InChIKey of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one?
The InChIKey is JMWQRQAFJVAVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16(2)28-20-9-12-27(23(29)19(20)15-24-28)14-13-26-10-7-17(8-11-26)22-18-5-3-4-6-21(18)30-25-22/h3-6,15-17H,7-14H2,1-2H3.
What are the key properties of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one?
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one has a molecular weight of 407.52 g/mol, XLogP of 3.48, 5 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]-1-propan-2-yl-6,7-dihydropyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 146343686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).