2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid

C30H25FN4O4 — CID 126627500

IUPAC2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid
SMILESCc1cc(CNC(=O)c2cc3c(-c4ccc5c6c(ccnc46)CCO5)c(CC(=O)O)c(C)cn3n2)ccc1F
InChIInChI=1S/C30H25FN4O4/c1-16-11-18(3-5-22(16)31)14-33-30(38)23-13-24-28(21(12-26(36)37)17(2)15-35(24)34-23)20-4-6-25-27-19(8-10-39-25)7-9-32-29(20)27/h3-7,9,11,13,15H,8,10,12,14H2,1-2H3,(H,33,38)(H,36,37)
InChIKeyJGACQGZNFVZVNT-UHFFFAOYSA-N
MW524.55 g/mol
LogP4.80
Rot. Bonds6

About 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid

2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid (PubChem CID 126627500) has the molecular formula C30H25FN4O4 and a molecular weight of 524.55 g/mol. Its IUPAC name is 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid
PubChem CID126627500
Molecular FormulaC30H25FN4O4
Molecular Weight524.55 g/mol
Exact Mass524.19
IUPAC Name2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid
SMILESCc1cc(CNC(=O)c2cc3c(-c4ccc5c6c(ccnc46)CCO5)c(CC(=O)O)c(C)cn3n2)ccc1F
InChIInChI=1S/C30H25FN4O4/c1-16-11-18(3-5-22(16)31)14-33-30(38)23-13-24-28(21(12-26(36)37)17(2)15-35(24)34-23)20-4-6-25-27-19(8-10-39-25)7-9-32-29(20)27/h3-7,9,11,13,15H,8,10,12,14H2,1-2H3,(H,33,38)(H,36,37)
InChIKeyJGACQGZNFVZVNT-UHFFFAOYSA-N
XLogP4.80
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.55
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid (CID 126627500) is 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid is Cc1cc(CNC(=O)c2cc3c(-c4ccc5c6c(ccnc46)CCO5)c(CC(=O)O)c(C)cn3n2)ccc1F.
What is the InChIKey of 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid?
The InChIKey is JGACQGZNFVZVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O4/c1-16-11-18(3-5-22(16)31)14-33-30(38)23-13-24-28(21(12-26(36)37)17(2)15-35(24)34-23)20-4-6-25-27-19(8-10-39-25)7-9-32-29(20)27/h3-7,9,11,13,15H,8,10,12,14H2,1-2H3,(H,33,38)(H,36,37).
What are the key properties of 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid?
2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid has a molecular weight of 524.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-6-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid is sourced from PubChem (CID 126627500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).