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

C22H27N5O2 — CID 146343464

IUPAC5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCc1c2c(nn1C)CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C22H27N5O2/c1-15-20-18(23-25(15)2)9-12-27(22(20)28)14-13-26-10-7-16(8-11-26)21-17-5-3-4-6-19(17)29-24-21/h3-6,16H,7-14H2,1-2H3
InChIKeyHUZCEKOWDSLRDU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.75
Rot. Bonds4

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

5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 146343464) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID146343464
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCc1c2c(nn1C)CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C22H27N5O2/c1-15-20-18(23-25(15)2)9-12-27(22(20)28)14-13-26-10-7-16(8-11-26)21-17-5-3-4-6-19(17)29-24-21/h3-6,16H,7-14H2,1-2H3
InChIKeyHUZCEKOWDSLRDU-UHFFFAOYSA-N
XLogP2.75
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.75
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]-2,3-dimethyl-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]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 146343464) is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-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]-2,3-dimethyl-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]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is Cc1c2c(nn1C)CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O.
What is the InChIKey of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is HUZCEKOWDSLRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-20-18(23-25(15)2)9-12-27(22(20)28)14-13-26-10-7-16(8-11-26)21-17-5-3-4-6-19(17)29-24-21/h3-6,16H,7-14H2,1-2H3.
What are the key properties of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 393.49 g/mol, XLogP of 2.75, 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]-2,3-dimethyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 146343464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).