7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C18H24N4O2 — CID 56701841

IUPAC7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESC=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCn3c(C(N)=O)cnc3C1)C2
InChIInChI=1S/C18H24N4O2/c1-11-17(2,3)12-4-5-18(11,8-12)16(24)21-6-7-22-13(15(19)23)9-20-14(22)10-21/h9,12H,1,4-8,10H2,2-3H3,(H2,19,23)/t12-,18-/m0/s1
InChIKeyRFJJLDCMTVOIMP-SGTLLEGYSA-N
MW328.42 g/mol
LogP1.71
Rot. Bonds2

About 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 56701841) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID56701841
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESC=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCn3c(C(N)=O)cnc3C1)C2
InChIInChI=1S/C18H24N4O2/c1-11-17(2,3)12-4-5-18(11,8-12)16(24)21-6-7-22-13(15(19)23)9-20-14(22)10-21/h9,12H,1,4-8,10H2,2-3H3,(H2,19,23)/t12-,18-/m0/s1
InChIKeyRFJJLDCMTVOIMP-SGTLLEGYSA-N
XLogP1.71
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 56701841) is 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCn3c(C(N)=O)cnc3C1)C2.
What is the InChIKey of 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is RFJJLDCMTVOIMP-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11-17(2,3)12-4-5-18(11,8-12)16(24)21-6-7-22-13(15(19)23)9-20-14(22)10-21/h9,12H,1,4-8,10H2,2-3H3,(H2,19,23)/t12-,18-/m0/s1.
What are the key properties of 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 56701841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).