1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

C24H27F2N7O — CID 156825970

IUPAC1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCc1cc(N2CC3C(C2)C3(F)F)nc(C)c1Cn1cc(C(=O)N[C@@H]2CCc3c2ncn3C)cn1
InChIInChI=1S/C24H27F2N7O/c1-13-6-21(32-10-17-18(11-32)24(17,25)26)29-14(2)16(13)9-33-8-15(7-28-33)23(34)30-19-4-5-20-22(19)27-12-31(20)3/h6-8,12,17-19H,4-5,9-11H2,1-3H3,(H,30,34)/t17?,18?,19-/m1/s1
InChIKeyRPCFGYYCEIKMJD-CTWPCTMYSA-N
MW467.52 g/mol
LogP2.80
Rot. Bonds5

About 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (PubChem CID 156825970) has the molecular formula C24H27F2N7O and a molecular weight of 467.52 g/mol. Its IUPAC name is 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
PubChem CID156825970
Molecular FormulaC24H27F2N7O
Molecular Weight467.52 g/mol
Exact Mass467.22
IUPAC Name1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCc1cc(N2CC3C(C2)C3(F)F)nc(C)c1Cn1cc(C(=O)N[C@@H]2CCc3c2ncn3C)cn1
InChIInChI=1S/C24H27F2N7O/c1-13-6-21(32-10-17-18(11-32)24(17,25)26)29-14(2)16(13)9-33-8-15(7-28-33)23(34)30-19-4-5-20-22(19)27-12-31(20)3/h6-8,12,17-19H,4-5,9-11H2,1-3H3,(H,30,34)/t17?,18?,19-/m1/s1
InChIKeyRPCFGYYCEIKMJD-CTWPCTMYSA-N
XLogP2.80
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]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-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (CID 156825970) is 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is Cc1cc(N2CC3C(C2)C3(F)F)nc(C)c1Cn1cc(C(=O)N[C@@H]2CCc3c2ncn3C)cn1.
What is the InChIKey of 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is RPCFGYYCEIKMJD-CTWPCTMYSA-N. The full InChI is InChI=1S/C24H27F2N7O/c1-13-6-21(32-10-17-18(11-32)24(17,25)26)29-14(2)16(13)9-33-8-15(7-28-33)23(34)30-19-4-5-20-22(19)27-12-31(20)3/h6-8,12,17-19H,4-5,9-11H2,1-3H3,(H,30,34)/t17?,18?,19-/m1/s1.
What are the key properties of 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 156825970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).