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

C23H27N5O2 — CID 146344044

IUPAC5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(C3CC3)nc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C23H27N5O2/c29-23-19-15-28(17-5-6-17)24-20(19)9-12-27(23)14-13-26-10-7-16(8-11-26)22-18-3-1-2-4-21(18)30-25-22/h1-4,15-17H,5-14H2
InChIKeyRGARYNHRALIUTE-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.24
Rot. Bonds5

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

5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 146344044) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-cyclopropyl-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-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID146344044
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(C3CC3)nc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C23H27N5O2/c29-23-19-15-28(17-5-6-17)24-20(19)9-12-27(23)14-13-26-10-7-16(8-11-26)22-18-3-1-2-4-21(18)30-25-22/h1-4,15-17H,5-14H2
InChIKeyRGARYNHRALIUTE-UHFFFAOYSA-N
XLogP3.24
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.24
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-cyclopropyl-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-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 146344044) is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is O=C1c2cn(C3CC3)nc2CCN1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is RGARYNHRALIUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-23-19-15-28(17-5-6-17)24-20(19)9-12-27(23)14-13-26-10-7-16(8-11-26)22-18-3-1-2-4-21(18)30-25-22/h1-4,15-17H,5-14H2.
What are the key properties of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 405.50 g/mol, XLogP of 3.24, 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]-2-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 146344044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).