N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

C21H22N4O3 — CID 66828937

IUPACN-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C21H22N4O3/c26-20(23-15-4-5-15)14-3-1-2-13(12-14)19-18-17(24-25-19)6-9-22-21(18)28-16-7-10-27-11-8-16/h1-3,6,9,12,15-16H,4-5,7-8,10-11H2,(H,23,26)(H,24,25)
InChIKeyLUJFKFPJDIZRFN-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.07
Rot. Bonds5

About N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (PubChem CID 66828937) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
PubChem CID66828937
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C21H22N4O3/c26-20(23-15-4-5-15)14-3-1-2-13(12-14)19-18-17(24-25-19)6-9-22-21(18)28-16-7-10-27-11-8-16/h1-3,6,9,12,15-16H,4-5,7-8,10-11H2,(H,23,26)(H,24,25)
InChIKeyLUJFKFPJDIZRFN-UHFFFAOYSA-N
XLogP3.07
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (CID 66828937) is N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is O=C(NC1CC1)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1.
What is the InChIKey of N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The InChIKey is LUJFKFPJDIZRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(23-15-4-5-15)14-3-1-2-13(12-14)19-18-17(24-25-19)6-9-22-21(18)28-16-7-10-27-11-8-16/h1-3,6,9,12,15-16H,4-5,7-8,10-11H2,(H,23,26)(H,24,25).
What are the key properties of N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 66828937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).