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

C22H30N8O2 — CID 177108751

IUPACN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide
SMILESCCN(c1ncc(C(=O)Nc2cn3cc(C)nc3c(C)n2)c(COC)n1)C1CCNCC1
InChIInChI=1S/C22H30N8O2/c1-5-30(16-6-8-23-9-7-16)22-24-10-17(18(27-22)13-32-4)21(31)28-19-12-29-11-14(2)25-20(29)15(3)26-19/h10-12,16,23H,5-9,13H2,1-4H3,(H,28,31)
InChIKeyRQZYZYFMZYPZIQ-UHFFFAOYSA-N
MW438.54 g/mol
LogP2.11
Rot. Bonds7

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

N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide (PubChem CID 177108751) has the molecular formula C22H30N8O2 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide
PubChem CID177108751
Molecular FormulaC22H30N8O2
Molecular Weight438.54 g/mol
Exact Mass438.25
IUPAC NameN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide
SMILESCCN(c1ncc(C(=O)Nc2cn3cc(C)nc3c(C)n2)c(COC)n1)C1CCNCC1
InChIInChI=1S/C22H30N8O2/c1-5-30(16-6-8-23-9-7-16)22-24-10-17(18(27-22)13-32-4)21(31)28-19-12-29-11-14(2)25-20(29)15(3)26-19/h10-12,16,23H,5-9,13H2,1-4H3,(H,28,31)
InChIKeyRQZYZYFMZYPZIQ-UHFFFAOYSA-N
XLogP2.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide (CID 177108751) is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide is CCN(c1ncc(C(=O)Nc2cn3cc(C)nc3c(C)n2)c(COC)n1)C1CCNCC1.
What is the InChIKey of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide?
The InChIKey is RQZYZYFMZYPZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O2/c1-5-30(16-6-8-23-9-7-16)22-24-10-17(18(27-22)13-32-4)21(31)28-19-12-29-11-14(2)25-20(29)15(3)26-19/h10-12,16,23H,5-9,13H2,1-4H3,(H,28,31).
What are the key properties of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide?
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 2.11, 7 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)-2-[ethyl(piperidin-4-yl)amino]-4-(methoxymethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 177108751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).