5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine

C20H16F3N5 — CID 67201045

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1ccncc1CNc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C20H16F3N5/c21-20(22,23)17-5-7-24-10-15(17)12-27-18-4-3-13(9-26-18)8-14-11-28-19-16(14)2-1-6-25-19/h1-7,9-11H,8,12H2,(H,25,28)(H,26,27)
InChIKeyKVUIDQSQZUZNCD-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.57
Rot. Bonds5

About 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine

5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 67201045) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID67201045
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1ccncc1CNc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C20H16F3N5/c21-20(22,23)17-5-7-24-10-15(17)12-27-18-4-3-13(9-26-18)8-14-11-28-19-16(14)2-1-6-25-19/h1-7,9-11H,8,12H2,(H,25,28)(H,26,27)
InChIKeyKVUIDQSQZUZNCD-UHFFFAOYSA-N
XLogP4.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine 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 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine (CID 67201045) is 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine is FC(F)(F)c1ccncc1CNc1ccc(Cc2c[nH]c3ncccc23)cn1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is KVUIDQSQZUZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c21-20(22,23)17-5-7-24-10-15(17)12-27-18-4-3-13(9-26-18)8-14-11-28-19-16(14)2-1-6-25-19/h1-7,9-11H,8,12H2,(H,25,28)(H,26,27).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine?
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 383.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 67201045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).