N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H10F3N9O3 — CID 146285357

IUPACN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3ccnc4c3OCO4)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C19H10F3N9O3/c20-19(21,22)15-12(8-28-30(15)13-1-2-24-18-14(13)33-9-34-18)17(32)29-11-5-10(6-23)16(25-7-11)31-26-3-4-27-31/h1-5,7-8H,9H2,(H,29,32)
InChIKeyVDSIPTMCKCXODF-UHFFFAOYSA-N
MW469.34 g/mol
LogP2.11
Rot. Bonds4

About N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285357) has the molecular formula C19H10F3N9O3 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146285357
Molecular FormulaC19H10F3N9O3
Molecular Weight469.34 g/mol
Exact Mass469.09
IUPAC NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3ccnc4c3OCO4)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C19H10F3N9O3/c20-19(21,22)15-12(8-28-30(15)13-1-2-24-18-14(13)33-9-34-18)17(32)29-11-5-10(6-23)16(25-7-11)31-26-3-4-27-31/h1-5,7-8H,9H2,(H,29,32)
InChIKeyVDSIPTMCKCXODF-UHFFFAOYSA-N
XLogP2.11
TPSA145.66 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-(2-cyano-4-fluorophenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285366
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285151
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285083
1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285295
1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285339
1-(3-chloro-2-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285264
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide
CID 135169814
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146279677
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-[(E)-1-(3-fluoro-2-methylphenyl)prop-1-enyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 135169811
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(1-ethynylisoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 170244976
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
1-(1-benzofuran-4-yl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609869

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285357) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cnn(-c3ccnc4c3OCO4)c2C(F)(F)F)cnc1-n1nccn1.
What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VDSIPTMCKCXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N9O3/c20-19(21,22)15-12(8-28-30(15)13-1-2-24-18-14(13)33-9-34-18)17(32)29-11-5-10(6-23)16(25-7-11)31-26-3-4-27-31/h1-5,7-8H,9H2,(H,29,32).
What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 469.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-([1,3]dioxolo[4,5-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).