2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate

C30H30ClN5O5 — CID 163255404

IUPAC2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate
SMILESCNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)c(C(=O)OCCN5CCOCC5)c4)cc23)cc1
InChIInChI=1S/C30H30ClN5O5/c1-32-28(37)21-5-3-20(4-6-21)25-19-33-36-10-9-22(17-27(25)36)29(38)34(2)23-7-8-26(31)24(18-23)30(39)41-16-13-35-11-14-40-15-12-35/h3-10,17-19H,11-16H2,1-2H3,(H,32,37)
InChIKeyNQVZFRMGOGUOPE-UHFFFAOYSA-N
MW576.05 g/mol
LogP3.78
Rot. Bonds8

About 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate

2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate (PubChem CID 163255404) has the molecular formula C30H30ClN5O5 and a molecular weight of 576.05 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate
PubChem CID163255404
Molecular FormulaC30H30ClN5O5
Molecular Weight576.05 g/mol
Exact Mass575.19
IUPAC Name2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate
SMILESCNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)c(C(=O)OCCN5CCOCC5)c4)cc23)cc1
InChIInChI=1S/C30H30ClN5O5/c1-32-28(37)21-5-3-20(4-6-21)25-19-33-36-10-9-22(17-27(25)36)29(38)34(2)23-7-8-26(31)24(18-23)30(39)41-16-13-35-11-14-40-15-12-35/h3-10,17-19H,11-16H2,1-2H3,(H,32,37)
InChIKeyNQVZFRMGOGUOPE-UHFFFAOYSA-N
XLogP3.78
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.05
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate?
The IUPAC name of 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate (CID 163255404) is 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate is CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)c(C(=O)OCCN5CCOCC5)c4)cc23)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate?
The InChIKey is NQVZFRMGOGUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN5O5/c1-32-28(37)21-5-3-20(4-6-21)25-19-33-36-10-9-22(17-27(25)36)29(38)34(2)23-7-8-26(31)24(18-23)30(39)41-16-13-35-11-14-40-15-12-35/h3-10,17-19H,11-16H2,1-2H3,(H,32,37).
What are the key properties of 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate?
2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate has a molecular weight of 576.05 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 163255404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).