[5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C21H26N6OS — CID 11327352

IUPAC[5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCNc1nccn2c(-c3ccc(C(=O)N4CCC(CN5CCCC5)C4)s3)cnc12
InChIInChI=1S/C21H26N6OS/c1-22-19-20-24-12-16(27(20)11-7-23-19)17-4-5-18(29-17)21(28)26-10-6-15(14-26)13-25-8-2-3-9-25/h4-5,7,11-12,15H,2-3,6,8-10,13-14H2,1H3,(H,22,23)
InChIKeyYASYOFGZSUDVJK-UHFFFAOYSA-N
MW410.55 g/mol
LogP3.06
Rot. Bonds5

About [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 11327352) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID11327352
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name[5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCNc1nccn2c(-c3ccc(C(=O)N4CCC(CN5CCCC5)C4)s3)cnc12
InChIInChI=1S/C21H26N6OS/c1-22-19-20-24-12-16(27(20)11-7-23-19)17-4-5-18(29-17)21(28)26-10-6-15(14-26)13-25-8-2-3-9-25/h4-5,7,11-12,15H,2-3,6,8-10,13-14H2,1H3,(H,22,23)
InChIKeyYASYOFGZSUDVJK-UHFFFAOYSA-N
XLogP3.06
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 164637032
4-hydroxy-N-[4-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]piperidine-1-carboxamide
CID 21070878
(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99836083
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(5-chlorothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542062
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 105387211
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
[3-(methylaminomethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119539267
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146129975
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
CID 119485306
5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57400976

Frequently Asked Questions

What is the IUPAC name of [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 11327352) is [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is CNc1nccn2c(-c3ccc(C(=O)N4CCC(CN5CCCC5)C4)s3)cnc12.
What is the InChIKey of [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YASYOFGZSUDVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-22-19-20-24-12-16(27(20)11-7-23-19)17-4-5-18(29-17)21(28)26-10-6-15(14-26)13-25-8-2-3-9-25/h4-5,7,11-12,15H,2-3,6,8-10,13-14H2,1H3,(H,22,23).
What are the key properties of [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 410.55 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11327352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).