N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide

C22H24F3N7O — CID 161487505

IUPACN-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)N(C)c1cnc(Cc2nc(-c3cc4c(cn3)N(C(C)C)CC4)n[nH]2)c(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N7O/c1-12(2)32-6-5-14-7-18(27-11-19(14)32)21-28-20(29-30-21)9-17-16(22(23,24)25)8-15(10-26-17)31(4)13(3)33/h7-8,10-12H,5-6,9H2,1-4H3,(H,28,29,30)
InChIKeyWFDXTPXIMPEWMV-UHFFFAOYSA-N
MW459.48 g/mol
LogP3.62
Rot. Bonds5

About N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide

N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 161487505) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID161487505
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC NameN-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(=O)N(C)c1cnc(Cc2nc(-c3cc4c(cn3)N(C(C)C)CC4)n[nH]2)c(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N7O/c1-12(2)32-6-5-14-7-18(27-11-19(14)32)21-28-20(29-30-21)9-17-16(22(23,24)25)8-15(10-26-17)31(4)13(3)33/h7-8,10-12H,5-6,9H2,1-4H3,(H,28,29,30)
InChIKeyWFDXTPXIMPEWMV-UHFFFAOYSA-N
XLogP3.62
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 161487505) is N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide is CC(=O)N(C)c1cnc(Cc2nc(-c3cc4c(cn3)N(C(C)C)CC4)n[nH]2)c(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is WFDXTPXIMPEWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O/c1-12(2)32-6-5-14-7-18(27-11-19(14)32)21-28-20(29-30-21)9-17-16(22(23,24)25)8-15(10-26-17)31(4)13(3)33/h7-8,10-12H,5-6,9H2,1-4H3,(H,28,29,30).
What are the key properties of N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide?
N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 459.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-[[3-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)-1H-1,2,4-triazol-5-yl]methyl]-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 161487505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).