N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide

C21H28N8O2 — CID 177108736

IUPACN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCCOc1nc(N2CCC(NC)CC2)ncc1C(=O)Nc1cn2cc(C)nc2c(C)n1
InChIInChI=1S/C21H28N8O2/c1-5-31-20-16(10-23-21(27-20)28-8-6-15(22-4)7-9-28)19(30)26-17-12-29-11-13(2)24-18(29)14(3)25-17/h10-12,15,22H,5-9H2,1-4H3,(H,26,30)
InChIKeyZBXGSJQUJFLMHJ-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.98
Rot. Bonds6

About N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide

N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 177108736) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID177108736
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC NameN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCCOc1nc(N2CCC(NC)CC2)ncc1C(=O)Nc1cn2cc(C)nc2c(C)n1
InChIInChI=1S/C21H28N8O2/c1-5-31-20-16(10-23-21(27-20)28-8-6-15(22-4)7-9-28)19(30)26-17-12-29-11-13(2)24-18(29)14(3)25-17/h10-12,15,22H,5-9H2,1-4H3,(H,26,30)
InChIKeyZBXGSJQUJFLMHJ-UHFFFAOYSA-N
XLogP1.98
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide
CID 177108640
4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 172551748
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide
CID 177108594
2-(4,7-diazaspiro[2.5]octan-7-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 175897407
2-(5,8-diazaspiro[2.6]nonan-8-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108694
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 177108754
2-(3,9-diazabicyclo[3.3.2]decan-3-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108575
2-(2,7-diazaspiro[4.5]decan-7-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108717
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyrimidine-5-carboxamide
CID 177108543
2-[(3S)-3-(2,2-difluoroethyl)piperazin-1-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide;hydrochloride
CID 172551837
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507653
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide
CID 177108751

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide (CID 177108736) is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide is CCOc1nc(N2CCC(NC)CC2)ncc1C(=O)Nc1cn2cc(C)nc2c(C)n1.
What is the InChIKey of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is ZBXGSJQUJFLMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-5-31-20-16(10-23-21(27-20)28-8-6-15(22-4)7-9-28)19(30)26-17-12-29-11-13(2)24-18(29)14(3)25-17/h10-12,15,22H,5-9H2,1-4H3,(H,26,30).
What are the key properties of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 177108736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).