(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C16H18N6O — CID 97384435

IUPAC(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCn2c(Cn3cccn3)cnc2C1
InChIInChI=1S/C16H18N6O/c1-19-6-2-4-14(19)16(23)20-8-9-22-13(10-17-15(22)12-20)11-21-7-3-5-18-21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyKLGOJOYRIACCQU-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.12
Rot. Bonds3

About (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 97384435) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID97384435
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCn2c(Cn3cccn3)cnc2C1
InChIInChI=1S/C16H18N6O/c1-19-6-2-4-14(19)16(23)20-8-9-22-13(10-17-15(22)12-20)11-21-7-3-5-18-21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyKLGOJOYRIACCQU-UHFFFAOYSA-N
XLogP1.12
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97471170
(5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155849531
N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 97471245
7-(benzenesulfonyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471163
7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384428
7-(cyclopropylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384441
1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide
CID 97384483
N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97384488
7-(cyclohexylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471177
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide
CID 97384486
(1-methylpyrrol-2-yl)-[4-[(6-propoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185274
1-methyl-N-[[7-(pyridazine-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
CID 97382147

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 97384435) is (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cn1cccc1C(=O)N1CCn2c(Cn3cccn3)cnc2C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is KLGOJOYRIACCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-19-6-2-4-14(19)16(23)20-8-9-22-13(10-17-15(22)12-20)11-21-7-3-5-18-21/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97384435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).