5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

C21H26N8O2 — CID 166507583

IUPAC5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cnc(N3CC[C@H](NCC4CC4)C3)cn2)cn2cc(C)nc12
InChIInChI=1S/C21H26N8O2/c1-13-10-29-12-17(27-21(31-2)19(29)25-13)26-20(30)16-8-24-18(9-23-16)28-6-5-15(11-28)22-7-14-3-4-14/h8-10,12,14-15,22H,3-7,11H2,1-2H3,(H,26,30)/t15-/m0/s1
InChIKeyXFYPGTBSGUTTPZ-HNNXBMFYSA-N
MW422.49 g/mol
LogP1.67
Rot. Bonds7

About 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507583) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
PubChem CID166507583
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cnc(N3CC[C@H](NCC4CC4)C3)cn2)cn2cc(C)nc12
InChIInChI=1S/C21H26N8O2/c1-13-10-29-12-17(27-21(31-2)19(29)25-13)26-20(30)16-8-24-18(9-23-16)28-6-5-15(11-28)22-7-14-3-4-14/h8-10,12,14-15,22H,3-7,11H2,1-2H3,(H,26,30)/t15-/m0/s1
InChIKeyXFYPGTBSGUTTPZ-HNNXBMFYSA-N
XLogP1.67
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 167273203
5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507752
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507653
5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 166507780
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[(3-methoxyazetidin-1-yl)methyl]azetidin-1-yl]pyrazine-2-carboxamide
CID 166507696
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
CID 166507514
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 66589962
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 166848042
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide
CID 177108736
[1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate
CID 175506314
5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507512

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (CID 166507583) is 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is COc1nc(NC(=O)c2cnc(N3CC[C@H](NCC4CC4)C3)cn2)cn2cc(C)nc12.
What is the InChIKey of 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The InChIKey is XFYPGTBSGUTTPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-13-10-29-12-17(27-21(31-2)19(29)25-13)26-20(30)16-8-24-18(9-23-16)28-6-5-15(11-28)22-7-14-3-4-14/h8-10,12,14-15,22H,3-7,11H2,1-2H3,(H,26,30)/t15-/m0/s1.
What are the key properties of 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).