N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide

C20H23ClN6O2 — CID 71516514

IUPACN-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide
SMILESNCCNC(=O)CC1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C20H23ClN6O2/c21-14-1-3-15(4-2-14)27-18-12-23-7-5-17(18)20(25-27)26-9-10-29-13-16(26)11-19(28)24-8-6-22/h1-5,7,12,16H,6,8-11,13,22H2,(H,24,28)
InChIKeyLTBPJIQBWSXVIH-UHFFFAOYSA-N
MW414.90 g/mol
LogP1.74
Rot. Bonds6

About N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide

N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide (PubChem CID 71516514) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide
PubChem CID71516514
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC NameN-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide
SMILESNCCNC(=O)CC1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C20H23ClN6O2/c21-14-1-3-15(4-2-14)27-18-12-23-7-5-17(18)20(25-27)26-9-10-29-13-16(26)11-19(28)24-8-6-22/h1-5,7,12,16H,6,8-11,13,22H2,(H,24,28)
InChIKeyLTBPJIQBWSXVIH-UHFFFAOYSA-N
XLogP1.74
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide (CID 71516514) is N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide is NCCNC(=O)CC1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide?
The InChIKey is LTBPJIQBWSXVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c21-14-1-3-15(4-2-14)27-18-12-23-7-5-17(18)20(25-27)26-9-10-29-13-16(26)11-19(28)24-8-6-22/h1-5,7,12,16H,6,8-11,13,22H2,(H,24,28).
What are the key properties of N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide?
N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide has a molecular weight of 414.90 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]acetamide is sourced from PubChem (CID 71516514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).