5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid

C36H31N9O5 — CID 167062746

IUPAC5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cnn2c(Cn3nc(C)c(-c4cnn5ccc(-c6cc(C(N)=O)co6)cc45)c3C)cc(-c3cc(C(=O)O)co3)cc12
InChIInChI=1S/C36H31N9O5/c1-18-33(20(3)42(5)40-18)28-14-39-45-26(8-23(10-30(28)45)32-12-25(17-50-32)36(47)48)15-44-21(4)34(19(2)41-44)27-13-38-43-7-6-22(9-29(27)43)31-11-24(16-49-31)35(37)46/h6-14,16-17H,15H2,1-5H3,(H2,37,46)(H,47,48)
InChIKeyGFIQTBFFSCGBKD-UHFFFAOYSA-N
MW669.70 g/mol
LogP5.85
Rot. Bonds8

About 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid

5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid (PubChem CID 167062746) has the molecular formula C36H31N9O5 and a molecular weight of 669.70 g/mol. Its IUPAC name is 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
PubChem CID167062746
Molecular FormulaC36H31N9O5
Molecular Weight669.70 g/mol
Exact Mass669.24
IUPAC Name5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cnn2c(Cn3nc(C)c(-c4cnn5ccc(-c6cc(C(N)=O)co6)cc45)c3C)cc(-c3cc(C(=O)O)co3)cc12
InChIInChI=1S/C36H31N9O5/c1-18-33(20(3)42(5)40-18)28-14-39-45-26(8-23(10-30(28)45)32-12-25(17-50-32)36(47)48)15-44-21(4)34(19(2)41-44)27-13-38-43-7-6-22(9-29(27)43)31-11-24(16-49-31)35(37)46/h6-14,16-17H,15H2,1-5H3,(H2,37,46)(H,47,48)
InChIKeyGFIQTBFFSCGBKD-UHFFFAOYSA-N
XLogP5.85
TPSA176.91 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500669.70
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid (CID 167062746) is 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid is Cc1nn(C)c(C)c1-c1cnn2c(Cn3nc(C)c(-c4cnn5ccc(-c6cc(C(N)=O)co6)cc45)c3C)cc(-c3cc(C(=O)O)co3)cc12.
What is the InChIKey of 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The InChIKey is GFIQTBFFSCGBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N9O5/c1-18-33(20(3)42(5)40-18)28-14-39-45-26(8-23(10-30(28)45)32-12-25(17-50-32)36(47)48)15-44-21(4)34(19(2)41-44)27-13-38-43-7-6-22(9-29(27)43)31-11-24(16-49-31)35(37)46/h6-14,16-17H,15H2,1-5H3,(H2,37,46)(H,47,48).
What are the key properties of 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid has a molecular weight of 669.70 g/mol, XLogP of 5.85, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid is sourced from PubChem (CID 167062746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).