Skip to content

3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H19F3N8O2 — CID 164899784

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(-c2cccc(C(F)(F)F)n2)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C)CC3)n1
InChIInChI=1S/C22H19F3N8O2/c1-12-9-10-18-29-30-19(33(12)18)14-5-3-7-16(26-14)28-20(34)13-11-32(31-21(13)35-2)17-8-4-6-15(27-17)22(23,24)25/h3-8,11-12H,9-10H2,1-2H3,(H,26,28,34)/t12-/m0/s1
InChIKeyKITQQKXEEZQJNY-LBPRGKRZSA-N
MW484.44 g/mol
LogP3.71
Rot. Bonds5

About 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 164899784) has the molecular formula C22H19F3N8O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID164899784
Molecular FormulaC22H19F3N8O2
Molecular Weight484.44 g/mol
Exact Mass484.16
IUPAC Name3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(-c2cccc(C(F)(F)F)n2)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C)CC3)n1
InChIInChI=1S/C22H19F3N8O2/c1-12-9-10-18-29-30-19(33(12)18)14-5-3-7-16(26-14)28-20(34)13-11-32(31-21(13)35-2)17-8-4-6-15(27-17)22(23,24)25/h3-8,11-12H,9-10H2,1-2H3,(H,26,28,34)/t12-/m0/s1
InChIKeyKITQQKXEEZQJNY-LBPRGKRZSA-N
XLogP3.71
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide 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 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 164899784) is 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(-c2cccc(C(F)(F)F)n2)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C)CC3)n1.
What is the InChIKey of 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is KITQQKXEEZQJNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H19F3N8O2/c1-12-9-10-18-29-30-19(33(12)18)14-5-3-7-16(26-14)28-20(34)13-11-32(31-21(13)35-2)17-8-4-6-15(27-17)22(23,24)25/h3-8,11-12H,9-10H2,1-2H3,(H,26,28,34)/t12-/m0/s1.
What are the key properties of 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164899784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.