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

C25H31ClN6O2 — CID 90413783

IUPAC2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C25H31ClN6O2/c1-30-10-7-18(8-11-30)15-28-24(33)14-21-17-34-13-12-31(21)25-22-6-9-27-16-23(22)32(29-25)20-4-2-19(26)3-5-20/h2-6,9,16,18,21H,7-8,10-15,17H2,1H3,(H,28,33)
InChIKeyFUVXQEKLRYMOAV-UHFFFAOYSA-N
MW483.02 g/mol
LogP3.13
Rot. Bonds6

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

2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide (PubChem CID 90413783) has the molecular formula C25H31ClN6O2 and a molecular weight of 483.02 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
PubChem CID90413783
Molecular FormulaC25H31ClN6O2
Molecular Weight483.02 g/mol
Exact Mass482.22
IUPAC Name2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C25H31ClN6O2/c1-30-10-7-18(8-11-30)15-28-24(33)14-21-17-34-13-12-31(21)25-22-6-9-27-16-23(22)32(29-25)20-4-2-19(26)3-5-20/h2-6,9,16,18,21H,7-8,10-15,17H2,1H3,(H,28,33)
InChIKeyFUVXQEKLRYMOAV-UHFFFAOYSA-N
XLogP3.13
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide (CID 90413783) is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide is CN1CCC(CNC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The InChIKey is FUVXQEKLRYMOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O2/c1-30-10-7-18(8-11-30)15-28-24(33)14-21-17-34-13-12-31(21)25-22-6-9-27-16-23(22)32(29-25)20-4-2-19(26)3-5-20/h2-6,9,16,18,21H,7-8,10-15,17H2,1H3,(H,28,33).
What are the key properties of 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide has a molecular weight of 483.02 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 90413783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).