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]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C34H33FN4O5 — CID 123567015

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]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc(CNC(=O)c2cc3c(-c4ccc5c6c(ccnc46)CCO5)c(C(OC(C)(C)C)C(=O)O)c(C)cn3n2)ccc1F
InChIInChI=1S/C34H33FN4O5/c1-18-14-20(6-8-23(18)35)16-37-32(40)24-15-25-29(22-7-9-26-28-21(11-13-43-26)10-12-36-30(22)28)27(19(2)17-39(25)38-24)31(33(41)42)44-34(3,4)5/h6-10,12,14-15,17,31H,11,13,16H2,1-5H3,(H,37,40)(H,41,42)
InChIKeyIXEPTGRMARFENT-UHFFFAOYSA-N
MW596.66 g/mol
LogP6.11
Rot. Bonds7

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]-2-[(2-methylpropan-2-yl)oxy]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]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 123567015) has the molecular formula C34H33FN4O5 and a molecular weight of 596.66 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]-2-[(2-methylpropan-2-yl)oxy]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]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID123567015
Molecular FormulaC34H33FN4O5
Molecular Weight596.66 g/mol
Exact Mass596.24
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]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc(CNC(=O)c2cc3c(-c4ccc5c6c(ccnc46)CCO5)c(C(OC(C)(C)C)C(=O)O)c(C)cn3n2)ccc1F
InChIInChI=1S/C34H33FN4O5/c1-18-14-20(6-8-23(18)35)16-37-32(40)24-15-25-29(22-7-9-26-28-21(11-13-43-26)10-12-36-30(22)28)27(19(2)17-39(25)38-24)31(33(41)42)44-34(3,4)5/h6-10,12,14-15,17,31H,11,13,16H2,1-5H3,(H,37,40)(H,41,42)
InChIKeyIXEPTGRMARFENT-UHFFFAOYSA-N
XLogP6.11
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.66
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]-2-[(2-methylpropan-2-yl)oxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(2-methyl-4-((1-methyl-5-(4-(pyridin-4-yl)phenyl)-1H-pyrazole-3-carboxamido)methyl)phenoxy)propanoic acid
CID 11283113
(S)-4-(1,2-dihydroxyethyl)-6-(4-((7-fluoro-1-methyl-1H-indazol-4-yl)oxy)phenyl)picolinamide
CID 118196225
(R)-4-(1,2-dihydroxyethyl)-6-(4-((7-fluoro-1-methyl-1H-indazol-4-yl)oxy)phenyl)-picolinamide
CID 118196244
US10112899, Example 299
CID 118648553
(2S)-2-tert-butoxy-2-[2-[3-[2-fluoro-3-methyl-6-[(1S)-1-methylbutoxy]phenyl]phenyl]-6-methyl-4-(4-methyl-4-propoxy-1-piperidyl)pyrazolo[1,5-a]pyridin-5-yl]acetic acid
CID 86300176
(2S)-2-tert-butoxy-2-[2-[3-[2-fluoro-6-[(1S)-1-methylbutoxy]phenyl]phenyl]-4-(4-hydroxy-4-methyl-1-piperidyl)-6-methyl-pyrazolo[1,5-a]pyridin-5-yl]acetic acid
CID 86300467
(2S)-2-tert-butoxy-2-[4-(8-fluoro-5-methyl-chroman-6-yl)-1,6-dimethyl-2-[[(3S)-3-[(1-methylindazole-5-carbonyl)amino]-1-piperidyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid
CID 86579211
(2S)-2-tert-butoxy-2-[4-(8-fluoro-5-methyl-chroman-6-yl)-1,6-dimethyl-2-[[(1-methylindazole-5-carbonyl)amino]methyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid
CID 86579512
(2S)-2-(tert-butoxy)-2-(2-((4-fluoro-3-methylbenzyl)carbamoyl)-4-(8-fluoro-5-methylchroman-6-yl)-6-methylpyrazolo[1,5-a]pyridin-5-yl)acetic acid
CID 117603193
2-Tert-butoxy-2-[10-(8-fluoro-5-methyl-chroman-6-yl)-8-methyl-pyrido[1,2-b]indazol-9-yl]acetic acid
CID 117603948
(2S)-2-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-4-(12-fluoro-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-10-yl)-6-methylpyrazolo[1,5-a]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 129901040
(2S)-2-[7-fluoro-3-methyl-6-(methylcarbamoyl)-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 67126143

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]-2-[(2-methylpropan-2-yl)oxy]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]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 123567015) 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]-2-[(2-methylpropan-2-yl)oxy]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]-2-[(2-methylpropan-2-yl)oxy]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]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc(CNC(=O)c2cc3c(-c4ccc5c6c(ccnc46)CCO5)c(C(OC(C)(C)C)C(=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]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is IXEPTGRMARFENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN4O5/c1-18-14-20(6-8-23(18)35)16-37-32(40)24-15-25-29(22-7-9-26-28-21(11-13-43-26)10-12-36-30(22)28)27(19(2)17-39(25)38-24)31(33(41)42)44-34(3,4)5/h6-10,12,14-15,17,31H,11,13,16H2,1-5H3,(H,37,40)(H,41,42).
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]-2-[(2-methylpropan-2-yl)oxy]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]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 596.66 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 123567015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).