7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C16H16N6O3 — CID 56706591

IUPAC7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCn4c(C(N)=O)cnc4C3)n[nH]2)o1
InChIInChI=1S/C16H16N6O3/c1-9-2-3-13(25-9)10-6-11(20-19-10)16(24)21-4-5-22-12(15(17)23)7-18-14(22)8-21/h2-3,6-7H,4-5,8H2,1H3,(H2,17,23)(H,19,20)
InChIKeyVMTSBFCDPRDYMP-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.93
Rot. Bonds3

About 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 56706591) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID56706591
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCn4c(C(N)=O)cnc4C3)n[nH]2)o1
InChIInChI=1S/C16H16N6O3/c1-9-2-3-13(25-9)10-6-11(20-19-10)16(24)21-4-5-22-12(15(17)23)7-18-14(22)8-21/h2-3,6-7H,4-5,8H2,1H3,(H2,17,23)(H,19,20)
InChIKeyVMTSBFCDPRDYMP-UHFFFAOYSA-N
XLogP0.93
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 70757637
[4-(methylamino)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119563954
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119520867
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119520866
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119639342
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118780350
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119648286
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70719104
[2-(aminomethyl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119634590
N-methyl-5-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 70740416
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 70782218
2-methoxy-1-[11-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]ethanone
CID 133070081

Frequently Asked Questions

What is the IUPAC name of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 56706591) is 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCn4c(C(N)=O)cnc4C3)n[nH]2)o1.
What is the InChIKey of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is VMTSBFCDPRDYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-9-2-3-13(25-9)10-6-11(20-19-10)16(24)21-4-5-22-12(15(17)23)7-18-14(22)8-21/h2-3,6-7H,4-5,8H2,1H3,(H2,17,23)(H,19,20).
What are the key properties of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 56706591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).