1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C34H30F3N5O7 — CID 166661571

IUPAC1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3cc4c(cc23)OCCOCCOCCO4)c(F)c1)c1c2n(n(-c3cc(F)ccc3F)c1=O)CCCC2
InChIInChI=1S/C34H30F3N5O7/c35-20-4-6-23(36)27(15-20)42-34(44)31(26-3-1-2-8-41(26)42)32(43)40-21-5-7-28(24(37)16-21)49-33-22-17-29-30(18-25(22)38-19-39-33)48-14-12-46-10-9-45-11-13-47-29/h4-7,15-19H,1-3,8-14H2,(H,40,43)
InChIKeyOBXXTSWZJCSUFB-UHFFFAOYSA-N
MW677.64 g/mol
LogP5.18
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166661571) has the molecular formula C34H30F3N5O7 and a molecular weight of 677.64 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166661571
Molecular FormulaC34H30F3N5O7
Molecular Weight677.64 g/mol
Exact Mass677.21
IUPAC Name1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3cc4c(cc23)OCCOCCOCCO4)c(F)c1)c1c2n(n(-c3cc(F)ccc3F)c1=O)CCCC2
InChIInChI=1S/C34H30F3N5O7/c35-20-4-6-23(36)27(15-20)42-34(44)31(26-3-1-2-8-41(26)42)32(43)40-21-5-7-28(24(37)16-21)49-33-22-17-29-30(18-25(22)38-19-39-33)48-14-12-46-10-9-45-11-13-47-29/h4-7,15-19H,1-3,8-14H2,(H,40,43)
InChIKeyOBXXTSWZJCSUFB-UHFFFAOYSA-N
XLogP5.18
TPSA127.96 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500677.64
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 151434188
1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 150526455
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 159265292
2,4-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137509
2,5-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137510
N-[3-fluoro-4-[6-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 146699656
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxamide
CID 155177383
5-(4-fluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-ylsulfanyl)phenyl]-4-oxo-1H-pyridine-3-carboxamide
CID 56644964
N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 66803643
3-[2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-methylphenyl]acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 158942229
N-(3-chloro-4-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904418
N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 166661571) is 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ncnc3cc4c(cc23)OCCOCCOCCO4)c(F)c1)c1c2n(n(-c3cc(F)ccc3F)c1=O)CCCC2.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OBXXTSWZJCSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N5O7/c35-20-4-6-23(36)27(15-20)42-34(44)31(26-3-1-2-8-41(26)42)32(43)40-21-5-7-28(24(37)16-21)49-33-22-17-29-30(18-25(22)38-19-39-33)48-14-12-46-10-9-45-11-13-47-29/h4-7,15-19H,1-3,8-14H2,(H,40,43).
What are the key properties of 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 677.64 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166661571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).