5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide

C25H16F3N9O2 — CID 176652881

IUPAC5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2ncnn2)c(C(F)(F)F)c1)c1cnn(-c2ccc3c4c(cccc24)C(=O)N3)c1C1CC1
InChIInChI=1S/C25H16F3N9O2/c26-25(27,28)17-8-13(9-29-22(17)37-32-11-30-35-37)33-24(39)16-10-31-36(21(16)12-4-5-12)19-7-6-18-20-14(19)2-1-3-15(20)23(38)34-18/h1-3,6-12H,4-5H2,(H,33,39)(H,34,38)
InChIKeyZDFRHTHEHUMBSN-UHFFFAOYSA-N
MW531.46 g/mol
LogP4.11
Rot. Bonds5

About 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide

5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 176652881) has the molecular formula C25H16F3N9O2 and a molecular weight of 531.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
PubChem CID176652881
Molecular FormulaC25H16F3N9O2
Molecular Weight531.46 g/mol
Exact Mass531.14
IUPAC Name5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2ncnn2)c(C(F)(F)F)c1)c1cnn(-c2ccc3c4c(cccc24)C(=O)N3)c1C1CC1
InChIInChI=1S/C25H16F3N9O2/c26-25(27,28)17-8-13(9-29-22(17)37-32-11-30-35-37)33-24(39)16-10-31-36(21(16)12-4-5-12)19-7-6-18-20-14(19)2-1-3-15(20)23(38)34-18/h1-3,6-12H,4-5H2,(H,33,39)(H,34,38)
InChIKeyZDFRHTHEHUMBSN-UHFFFAOYSA-N
XLogP4.11
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-chloro-8-(trifluoromethyl)quinolin-3-yl]-1-(2-oxo-1H-benzo[cd]indol-6-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 176640660
1-[2-oxo-1-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzo[cd]indol-6-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 168966662
5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 171616258
1-[1-(azetidin-3-yl)isoquinolin-4-yl]-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609754
N-(5-cyano-6-cyclopropyl-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175593789
N-[5-chloro-6-(triazolo[4,5-c]pyridin-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610001
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(1-pyrrolidin-2-ylisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609867
2-methyl-4,5-diphenyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 167302284
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[1-(oxolan-2-yl)isoquinolin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609818
N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610153
N-[5-chloro-6-[5-(hydroxymethyl)triazol-1-yl]-3-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610183
N-[5-chloro-6-(4-methyltriazol-1-yl)-3-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240217

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (CID 176652881) is 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1cnc(-n2ncnn2)c(C(F)(F)F)c1)c1cnn(-c2ccc3c4c(cccc24)C(=O)N3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is ZDFRHTHEHUMBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N9O2/c26-25(27,28)17-8-13(9-29-22(17)37-32-11-30-35-37)33-24(39)16-10-31-36(21(16)12-4-5-12)19-7-6-18-20-14(19)2-1-3-15(20)23(38)34-18/h1-3,6-12H,4-5H2,(H,33,39)(H,34,38).
What are the key properties of 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 531.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 176652881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).