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

C24H29ClN6O2 — CID 90412114

IUPAC2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C24H29ClN6O2/c1-29-10-7-18(8-11-29)27-23(32)14-20-16-33-13-12-30(20)24-21-6-9-26-15-22(21)31(28-24)19-4-2-17(25)3-5-19/h2-6,9,15,18,20H,7-8,10-14,16H2,1H3,(H,27,32)
InChIKeySBFFPXNSGFRDCI-UHFFFAOYSA-N
MW468.99 g/mol
LogP2.88
Rot. Bonds5

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

2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 90412114) has the molecular formula C24H29ClN6O2 and a molecular weight of 468.99 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)acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID90412114
Molecular FormulaC24H29ClN6O2
Molecular Weight468.99 g/mol
Exact Mass468.20
IUPAC Name2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CC2COCCN2c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C24H29ClN6O2/c1-29-10-7-18(8-11-29)27-23(32)14-20-16-33-13-12-30(20)24-21-6-9-26-15-22(21)31(28-24)19-4-2-17(25)3-5-19/h2-6,9,15,18,20H,7-8,10-14,16H2,1H3,(H,27,32)
InChIKeySBFFPXNSGFRDCI-UHFFFAOYSA-N
XLogP2.88
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 52.88
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)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)acetamide (CID 90412114) is 2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)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)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)acetamide is CN1CCC(NC(=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)acetamide?
The InChIKey is SBFFPXNSGFRDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O2/c1-29-10-7-18(8-11-29)27-23(32)14-20-16-33-13-12-30(20)24-21-6-9-26-15-22(21)31(28-24)19-4-2-17(25)3-5-19/h2-6,9,15,18,20H,7-8,10-14,16H2,1H3,(H,27,32).
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)acetamide?
2-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 468.99 g/mol, XLogP of 2.88, 5 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)acetamide is sourced from PubChem (CID 90412114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).