1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide

C16H16F3N5O2 — CID 155351728

IUPAC1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)Nc3cc(C(F)(F)F)nn3C)cn(C)c12
InChIInChI=1S/C16H16F3N5O2/c1-8-6-23(3)15(26)12-9(7-22(2)13(8)12)14(25)20-11-5-10(16(17,18)19)21-24(11)4/h5-7H,1-4H3,(H,20,25)
InChIKeyWCCQAVMMASBDOM-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.19
Rot. Bonds2

About 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide

1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 155351728) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID155351728
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)Nc3cc(C(F)(F)F)nn3C)cn(C)c12
InChIInChI=1S/C16H16F3N5O2/c1-8-6-23(3)15(26)12-9(7-22(2)13(8)12)14(25)20-11-5-10(16(17,18)19)21-24(11)4/h5-7H,1-4H3,(H,20,25)
InChIKeyWCCQAVMMASBDOM-UHFFFAOYSA-N
XLogP2.19
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide (CID 155351728) is 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide is Cc1cn(C)c(=O)c2c(C(=O)Nc3cc(C(F)(F)F)nn3C)cn(C)c12.
What is the InChIKey of 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is WCCQAVMMASBDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-8-6-23(3)15(26)12-9(7-22(2)13(8)12)14(25)20-11-5-10(16(17,18)19)21-24(11)4/h5-7H,1-4H3,(H,20,25).
What are the key properties of 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155351728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).