2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide

C25H23F3N6O2 — CID 121231225

IUPAC2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)ccn2)c2cnccc21
InChIInChI=1S/C25H23F3N6O2/c1-14(2)33-13-19(18-11-29-7-6-21(18)33)23(36)20-10-16(5-8-30-20)31-22(35)9-15-12-34(17-3-4-17)32-24(15)25(26,27)28/h5-8,10-14,17H,3-4,9H2,1-2H3,(H,30,31,35)
InChIKeyMHCHSTGTRDTLPD-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.97
Rot. Bonds7

About 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide

2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide (PubChem CID 121231225) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide
PubChem CID121231225
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC Name2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)ccn2)c2cnccc21
InChIInChI=1S/C25H23F3N6O2/c1-14(2)33-13-19(18-11-29-7-6-21(18)33)23(36)20-10-16(5-8-30-20)31-22(35)9-15-12-34(17-3-4-17)32-24(15)25(26,27)28/h5-8,10-14,17H,3-4,9H2,1-2H3,(H,30,31,35)
InChIKeyMHCHSTGTRDTLPD-UHFFFAOYSA-N
XLogP4.97
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide?
The IUPAC name of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide (CID 121231225) is 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide.
What is the SMILES notation for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide?
The canonical SMILES for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)ccn2)c2cnccc21.
What is the InChIKey of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide?
The InChIKey is MHCHSTGTRDTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c1-14(2)33-13-19(18-11-29-7-6-21(18)33)23(36)20-10-16(5-8-30-20)31-22(35)9-15-12-34(17-3-4-17)32-24(15)25(26,27)28/h5-8,10-14,17H,3-4,9H2,1-2H3,(H,30,31,35).
What are the key properties of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide?
2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide has a molecular weight of 496.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide is sourced from PubChem (CID 121231225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).