3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide

C20H19F3N6O — CID 164616938

IUPAC3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1c(-c2c[nH]c3nc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC(C)c1ccn(C)n1
InChIInChI=1S/C20H19F3N6O/c1-10-13(14-9-25-18-12(14)4-5-16(27-18)20(21,22)23)8-24-17(10)19(30)26-11(2)15-6-7-29(3)28-15/h4-9,11,24H,1-3H3,(H,25,27)(H,26,30)
InChIKeyBFIAROFHANCXJN-UHFFFAOYSA-N
MW416.41 g/mol
LogP4.11
Rot. Bonds4

About 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide

3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 164616938) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID164616938
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1c(-c2c[nH]c3nc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC(C)c1ccn(C)n1
InChIInChI=1S/C20H19F3N6O/c1-10-13(14-9-25-18-12(14)4-5-16(27-18)20(21,22)23)8-24-17(10)19(30)26-11(2)15-6-7-29(3)28-15/h4-9,11,24H,1-3H3,(H,25,27)(H,26,30)
InChIKeyBFIAROFHANCXJN-UHFFFAOYSA-N
XLogP4.11
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide (CID 164616938) is 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide is Cc1c(-c2c[nH]c3nc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC(C)c1ccn(C)n1.
What is the InChIKey of 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is BFIAROFHANCXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c1-10-13(14-9-25-18-12(14)4-5-16(27-18)20(21,22)23)8-24-17(10)19(30)26-11(2)15-6-7-29(3)28-15/h4-9,11,24H,1-3H3,(H,25,27)(H,26,30).
What are the key properties of 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methylpyrazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164616938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).