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1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

C24H30N8O2 — CID 156826214

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCOC1C2CC1CN(c1ncc(Cn3cc(C(=O)N[C@@H]4CCc5c4ncn5C)cn3)c(C)n1)C2
InChIInChI=1S/C24H30N8O2/c1-14-17(7-25-24(28-14)31-9-15-6-16(10-31)22(15)34-3)11-32-12-18(8-27-32)23(33)29-19-4-5-20-21(19)26-13-30(20)2/h7-8,12-13,15-16,19,22H,4-6,9-11H2,1-3H3,(H,29,33)/t15?,16?,19-,22?/m1/s1
InChIKeyXILDEHCJHWTWGX-RFQURXDMSA-N
MW462.56 g/mol
LogP1.65
Rot. Bonds6

About 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (PubChem CID 156826214) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
PubChem CID156826214
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCOC1C2CC1CN(c1ncc(Cn3cc(C(=O)N[C@@H]4CCc5c4ncn5C)cn3)c(C)n1)C2
InChIInChI=1S/C24H30N8O2/c1-14-17(7-25-24(28-14)31-9-15-6-16(10-31)22(15)34-3)11-32-12-18(8-27-32)23(33)29-19-4-5-20-21(19)26-13-30(20)2/h7-8,12-13,15-16,19,22H,4-6,9-11H2,1-3H3,(H,29,33)/t15?,16?,19-,22?/m1/s1
InChIKeyXILDEHCJHWTWGX-RFQURXDMSA-N
XLogP1.65
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (CID 156826214) is 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is COC1C2CC1CN(c1ncc(Cn3cc(C(=O)N[C@@H]4CCc5c4ncn5C)cn3)c(C)n1)C2.
What is the InChIKey of 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is XILDEHCJHWTWGX-RFQURXDMSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-14-17(7-25-24(28-14)31-9-15-6-16(10-31)22(15)34-3)11-32-12-18(8-27-32)23(33)29-19-4-5-20-21(19)26-13-30(20)2/h7-8,12-13,15-16,19,22H,4-6,9-11H2,1-3H3,(H,29,33)/t15?,16?,19-,22?/m1/s1.
What are the key properties of 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 462.56 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 156826214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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