5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

C19H23FN8O2 — CID 166507470

IUPAC5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCCN[C@@H]1CN(c2cnc(C(=O)Nc3cn4cc(C)nc4c(OC)n3)cn2)C[C@@H]1F
InChIInChI=1S/C19H23FN8O2/c1-4-21-14-9-27(8-12(14)20)16-6-22-13(5-23-16)18(29)25-15-10-28-7-11(2)24-17(28)19(26-15)30-3/h5-7,10,12,14,21H,4,8-9H2,1-3H3,(H,25,29)/t12-,14+/m0/s1
InChIKeyCMMFIIDNINUKDO-GXTWGEPZSA-N
MW414.45 g/mol
LogP1.22
Rot. Bonds6

About 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507470) has the molecular formula C19H23FN8O2 and a molecular weight of 414.45 g/mol. Its IUPAC name is 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
PubChem CID166507470
Molecular FormulaC19H23FN8O2
Molecular Weight414.45 g/mol
Exact Mass414.19
IUPAC Name5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCCN[C@@H]1CN(c2cnc(C(=O)Nc3cn4cc(C)nc4c(OC)n3)cn2)C[C@@H]1F
InChIInChI=1S/C19H23FN8O2/c1-4-21-14-9-27(8-12(14)20)16-6-22-13(5-23-16)18(29)25-15-10-28-7-11(2)24-17(28)19(26-15)30-3/h5-7,10,12,14,21H,4,8-9H2,1-3H3,(H,25,29)/t12-,14+/m0/s1
InChIKeyCMMFIIDNINUKDO-GXTWGEPZSA-N
XLogP1.22
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide 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-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (CID 166507470) is 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is CCN[C@@H]1CN(c2cnc(C(=O)Nc3cn4cc(C)nc4c(OC)n3)cn2)C[C@@H]1F.
What is the InChIKey of 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The InChIKey is CMMFIIDNINUKDO-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H23FN8O2/c1-4-21-14-9-27(8-12(14)20)16-6-22-13(5-23-16)18(29)25-15-10-28-7-11(2)24-17(28)19(26-15)30-3/h5-7,10,12,14,21H,4,8-9H2,1-3H3,(H,25,29)/t12-,14+/m0/s1.
What are the key properties of 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).