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

C25H21ClN4O4 — CID 163255390

IUPACmethyl 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)OC)c4)cc23)cc1
InChIInChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
InChIKeyUUGWSUYPJGPKKF-UHFFFAOYSA-N
MW476.92 g/mol
LogP4.08
Rot. Bonds5

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

methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate (PubChem CID 163255390) has the molecular formula C25H21ClN4O4 and a molecular weight of 476.92 g/mol. Its IUPAC name is methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate
PubChem CID163255390
Molecular FormulaC25H21ClN4O4
Molecular Weight476.92 g/mol
Exact Mass476.13
IUPAC Namemethyl 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)OC)c4)cc23)cc1
InChIInChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
InChIKeyUUGWSUYPJGPKKF-UHFFFAOYSA-N
XLogP4.08
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate (CID 163255390) is methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 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)OC)c4)cc23)cc1.
What is the InChIKey of methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate?
The InChIKey is UUGWSUYPJGPKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31).
What are the key properties of methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate?
methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate has a molecular weight of 476.92 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 163255390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).