(5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C18H24N6O3 — CID 124797682

IUPAC(5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1cc(N2Cc3cncn3[C@@H](C(=O)NCC3CCOCC3)C2)ncn1
InChIInChI=1S/C18H24N6O3/c1-26-17-6-16(21-11-22-17)23-9-14-8-19-12-24(14)15(10-23)18(25)20-7-13-2-4-27-5-3-13/h6,8,11-13,15H,2-5,7,9-10H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyRHAXPRJWKOPDPS-OAHLLOKOSA-N
MW372.43 g/mol
LogP0.79
Rot. Bonds5

About (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

(5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 124797682) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID124797682
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1cc(N2Cc3cncn3[C@@H](C(=O)NCC3CCOCC3)C2)ncn1
InChIInChI=1S/C18H24N6O3/c1-26-17-6-16(21-11-22-17)23-9-14-8-19-12-24(14)15(10-23)18(25)20-7-13-2-4-27-5-3-13/h6,8,11-13,15H,2-5,7,9-10H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyRHAXPRJWKOPDPS-OAHLLOKOSA-N
XLogP0.79
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 124797682) is (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is COc1cc(N2Cc3cncn3[C@@H](C(=O)NCC3CCOCC3)C2)ncn1.
What is the InChIKey of (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is RHAXPRJWKOPDPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-26-17-6-16(21-11-22-17)23-9-14-8-19-12-24(14)15(10-23)18(25)20-7-13-2-4-27-5-3-13/h6,8,11-13,15H,2-5,7,9-10H2,1H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
(5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 124797682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).