2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide

C17H22N6O2 — CID 131655126

IUPAC2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
SMILESCOc1cc(N2Cc3cncn3C(CNC(=O)CC3CC3)C2)ncn1
InChIInChI=1S/C17H22N6O2/c1-25-17-5-15(20-10-21-17)22-8-13-6-18-11-23(13)14(9-22)7-19-16(24)4-12-2-3-12/h5-6,10-12,14H,2-4,7-9H2,1H3,(H,19,24)
InChIKeyGYMGQTDFMPTMTC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.16
Rot. Bonds6

About 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide

2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide (PubChem CID 131655126) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
PubChem CID131655126
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
SMILESCOc1cc(N2Cc3cncn3C(CNC(=O)CC3CC3)C2)ncn1
InChIInChI=1S/C17H22N6O2/c1-25-17-5-15(20-10-21-17)22-8-13-6-18-11-23(13)14(9-22)7-19-16(24)4-12-2-3-12/h5-6,10-12,14H,2-4,7-9H2,1H3,(H,19,24)
InChIKeyGYMGQTDFMPTMTC-UHFFFAOYSA-N
XLogP1.16
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 124809114
(2S,3aR,6aR)-N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 98777397
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
(5R)-N-(cyclopropylmethyl)-7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124782068
N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide
CID 124818969
5-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155864316
2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950129
methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
CID 166613973
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992977
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97476350
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 127022239

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide (CID 131655126) is 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide is COc1cc(N2Cc3cncn3C(CNC(=O)CC3CC3)C2)ncn1.
What is the InChIKey of 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide?
The InChIKey is GYMGQTDFMPTMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-25-17-5-15(20-10-21-17)22-8-13-6-18-11-23(13)14(9-22)7-19-16(24)4-12-2-3-12/h5-6,10-12,14H,2-4,7-9H2,1H3,(H,19,24).
What are the key properties of 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide?
2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide is sourced from PubChem (CID 131655126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).