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

C16H20N6O2 — CID 124794938

IUPAC(5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1cc(N2Cc3cncn3[C@@H](C(=O)NCC3CC3)C2)ncn1
InChIInChI=1S/C16H20N6O2/c1-24-15-4-14(19-9-20-15)21-7-12-6-17-10-22(12)13(8-21)16(23)18-5-11-2-3-11/h4,6,9-11,13H,2-3,5,7-8H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyHHFSUPGHQLKVOB-CYBMUJFWSA-N
MW328.38 g/mol
LogP0.77
Rot. Bonds5

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

(5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 124794938) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID124794938
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1cc(N2Cc3cncn3[C@@H](C(=O)NCC3CC3)C2)ncn1
InChIInChI=1S/C16H20N6O2/c1-24-15-4-14(19-9-20-15)21-7-12-6-17-10-22(12)13(8-21)16(23)18-5-11-2-3-11/h4,6,9-11,13H,2-3,5,7-8H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyHHFSUPGHQLKVOB-CYBMUJFWSA-N
XLogP0.77
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 124794938) is (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is COc1cc(N2Cc3cncn3[C@@H](C(=O)NCC3CC3)C2)ncn1.
What is the InChIKey of (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is HHFSUPGHQLKVOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-24-15-4-14(19-9-20-15)21-7-12-6-17-10-22(12)13(8-21)16(23)18-5-11-2-3-11/h4,6,9-11,13H,2-3,5,7-8H2,1H3,(H,18,23)/t13-/m1/s1.
What are the key properties of (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
(5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 124794938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).