N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide

C18H26N6O — CID 97467594

IUPACN-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCCC2)CC3)cn1
InChIInChI=1S/C18H26N6O/c1-22-11-15(8-20-22)18(25)19-9-16-12-24-7-6-23(13-17(24)21-16)10-14-4-2-3-5-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,19,25)
InChIKeyWGJHYKVAGOUPAL-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.55
Rot. Bonds5

About N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 97467594) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID97467594
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCCC2)CC3)cn1
InChIInChI=1S/C18H26N6O/c1-22-11-15(8-20-22)18(25)19-9-16-12-24-7-6-23(13-17(24)21-16)10-14-4-2-3-5-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,19,25)
InChIKeyWGJHYKVAGOUPAL-UHFFFAOYSA-N
XLogP1.55
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 97467594) is N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCCC2)CC3)cn1.
What is the InChIKey of N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is WGJHYKVAGOUPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22-11-15(8-20-22)18(25)19-9-16-12-24-7-6-23(13-17(24)21-16)10-14-4-2-3-5-14/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,19,25).
What are the key properties of N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 97467594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).