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

C19H20N4O3 — CID 66828941

IUPACN-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C19H20N4O3/c1-20-18(24)13-4-2-3-12(11-13)17-16-15(22-23-17)5-8-21-19(16)26-14-6-9-25-10-7-14/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyGKCFJUMKWXRTAL-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.54
Rot. Bonds4

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

N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (PubChem CID 66828941) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
PubChem CID66828941
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1
InChIInChI=1S/C19H20N4O3/c1-20-18(24)13-4-2-3-12(11-13)17-16-15(22-23-17)5-8-21-19(16)26-14-6-9-25-10-7-14/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,20,24)(H,22,23)
InChIKeyGKCFJUMKWXRTAL-UHFFFAOYSA-N
XLogP2.54
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The IUPAC name of N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (CID 66828941) is N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.
What is the SMILES notation for N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The canonical SMILES for N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is CNC(=O)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1.
What is the InChIKey of N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The InChIKey is GKCFJUMKWXRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-20-18(24)13-4-2-3-12(11-13)17-16-15(22-23-17)5-8-21-19(16)26-14-6-9-25-10-7-14/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 66828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).