N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide

C20H24N6O2 — CID 67418601

IUPACN-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCOCC3C(=O)NCCN)c3ccncc32)cc1
InChIInChI=1S/C20H24N6O2/c1-14-2-4-15(5-3-14)26-17-12-22-8-6-16(17)19(24-26)25-10-11-28-13-18(25)20(27)23-9-7-21/h2-6,8,12,18H,7,9-11,13,21H2,1H3,(H,23,27)
InChIKeyWXIWPIJBROQRNE-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.01
Rot. Bonds5

About N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide

N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide (PubChem CID 67418601) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide
PubChem CID67418601
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCOCC3C(=O)NCCN)c3ccncc32)cc1
InChIInChI=1S/C20H24N6O2/c1-14-2-4-15(5-3-14)26-17-12-22-8-6-16(17)19(24-26)25-10-11-28-13-18(25)20(27)23-9-7-21/h2-6,8,12,18H,7,9-11,13,21H2,1H3,(H,23,27)
InChIKeyWXIWPIJBROQRNE-UHFFFAOYSA-N
XLogP1.01
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide (CID 67418601) is N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide is Cc1ccc(-n2nc(N3CCOCC3C(=O)NCCN)c3ccncc32)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide?
The InChIKey is WXIWPIJBROQRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-2-4-15(5-3-14)26-17-12-22-8-6-16(17)19(24-26)25-10-11-28-13-18(25)20(27)23-9-7-21/h2-6,8,12,18H,7,9-11,13,21H2,1H3,(H,23,27).
What are the key properties of N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide?
N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide is sourced from PubChem (CID 67418601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).