ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane

C22H31FN8 — CID 170641793

IUPACethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane
SMILESCC.CCC.Cc1nc(N[C@@H]2CNC[C@@H]2F)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C17H17FN8.C3H8.C2H6/c1-10-15-12(11-6-21-17-20-3-5-25(17)9-11)2-4-26(15)24-16(22-10)23-14-8-19-7-13(14)18;1-3-2;1-2/h2-6,9,13-14,19H,7-8H2,1H3,(H,23,24);3H2,1-2H3;1-2H3/t13-,14+;;/m0../s1
InChIKeyRWUQNSGRXKNTSF-WICJZZOFSA-N
MW426.54 g/mol
LogP3.91
Rot. Bonds3

About ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane

ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane (PubChem CID 170641793) has the molecular formula C22H31FN8 and a molecular weight of 426.54 g/mol. Its IUPAC name is ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane.

Molecular Properties

Compound Nameethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane
PubChem CID170641793
Molecular FormulaC22H31FN8
Molecular Weight426.54 g/mol
Exact Mass426.27
IUPAC Nameethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane
SMILESCC.CCC.Cc1nc(N[C@@H]2CNC[C@@H]2F)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C17H17FN8.C3H8.C2H6/c1-10-15-12(11-6-21-17-20-3-5-25(17)9-11)2-4-26(15)24-16(22-10)23-14-8-19-7-13(14)18;1-3-2;1-2/h2-6,9,13-14,19H,7-8H2,1H3,(H,23,24);3H2,1-2H3;1-2H3/t13-,14+;;/m0../s1
InChIKeyRWUQNSGRXKNTSF-WICJZZOFSA-N
XLogP3.91
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane 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 ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane?
The IUPAC name of ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane (CID 170641793) is ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane.
What is the SMILES notation for ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane?
The canonical SMILES for ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane is CC.CCC.Cc1nc(N[C@@H]2CNC[C@@H]2F)nn2ccc(-c3cnc4nccn4c3)c12.
What is the InChIKey of ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane?
The InChIKey is RWUQNSGRXKNTSF-WICJZZOFSA-N. The full InChI is InChI=1S/C17H17FN8.C3H8.C2H6/c1-10-15-12(11-6-21-17-20-3-5-25(17)9-11)2-4-26(15)24-16(22-10)23-14-8-19-7-13(14)18;1-3-2;1-2/h2-6,9,13-14,19H,7-8H2,1H3,(H,23,24);3H2,1-2H3;1-2H3/t13-,14+;;/m0../s1.
What are the key properties of ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane?
ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane has a molecular weight of 426.54 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane is sourced from PubChem (CID 170641793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).