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

C20H23N5O2 — CID 146641145

IUPAC5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCn1cc2c(n1)CCN(CCN1CCC(c3noc4ccccc34)C1)C2=O
InChIInChI=1S/C20H23N5O2/c1-23-13-16-17(21-23)7-9-25(20(16)26)11-10-24-8-6-14(12-24)19-15-4-2-3-5-18(15)27-22-19/h2-5,13-14H,6-12H2,1H3
InChIKeySPGPIFBKORJNRC-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.05
Rot. Bonds4

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

5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 146641145) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID146641145
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCn1cc2c(n1)CCN(CCN1CCC(c3noc4ccccc34)C1)C2=O
InChIInChI=1S/C20H23N5O2/c1-23-13-16-17(21-23)7-9-25(20(16)26)11-10-24-8-6-14(12-24)19-15-4-2-3-5-18(15)27-22-19/h2-5,13-14H,6-12H2,1H3
InChIKeySPGPIFBKORJNRC-UHFFFAOYSA-N
XLogP2.05
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 146641145) is 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is Cn1cc2c(n1)CCN(CCN1CCC(c3noc4ccccc34)C1)C2=O.
What is the InChIKey of 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is SPGPIFBKORJNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-13-16-17(21-23)7-9-25(20(16)26)11-10-24-8-6-14(12-24)19-15-4-2-3-5-18(15)27-22-19/h2-5,13-14H,6-12H2,1H3.
What are the key properties of 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 365.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(1,2-benzoxazol-3-yl)pyrrolidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 146641145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).