1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C20H27N5O — CID 31258820

IUPAC1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C20H27N5O/c26-19(9-8-17-14-6-1-2-7-16(14)21-22-17)25-11-10-18-15(12-25)20(24-23-18)13-4-3-5-13/h13H,1-12H2,(H,21,22)(H,23,24)
InChIKeyAUOZHNRSACXTFK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 31258820) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID31258820
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C20H27N5O/c26-19(9-8-17-14-6-1-2-7-16(14)21-22-17)25-11-10-18-15(12-25)20(24-23-18)13-4-3-5-13/h13H,1-12H2,(H,21,22)(H,23,24)
InChIKeyAUOZHNRSACXTFK-UHFFFAOYSA-N
XLogP2.80
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 31258820) is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is O=C(CCc1n[nH]c2c1CCCC2)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is AUOZHNRSACXTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-19(9-8-17-14-6-1-2-7-16(14)21-22-17)25-11-10-18-15(12-25)20(24-23-18)13-4-3-5-13/h13H,1-12H2,(H,21,22)(H,23,24).
What are the key properties of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 353.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 31258820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).