1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide

C72H83F2N19O3 — CID 159933358

IUPAC1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
SMILESCC1=C2CC[C@@H](NC(=O)c3cnn(Cc4ccc(N5C[C@@H]6C(C)[C@@H]6C5)nc4C)c3)C2=NC1.CC1=C2CC[C@@H](NC(=O)c3cnn(Cc4cnc(N5CC6C(C5)C6(F)F)nc4C)c3)C2=NC1.CC1=NCC2=C1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2C)cn1
InChIInChI=1S/C25H30N6O.C24H28N6O.C23H25F2N7O/c1-14-8-26-24-19(14)5-6-22(24)29-25(32)18-9-27-31(11-18)10-17-4-7-23(28-16(17)3)30-12-20-15(2)21(20)13-30;1-15-17(3-6-22(27-15)30-12-24(13-30)7-8-24)10-29-11-21(26-14-29)23(31)28-20-5-4-18-16(2)25-9-19(18)20;1-12-5-26-20-16(12)3-4-19(20)30-21(33)15-7-28-32(9-15)8-14-6-27-22(29-13(14)2)31-10-17-18(11-31)23(17,24)25/h4,7,9,11,15,20-22H,5-6,8,10,12-13H2,1-3H3,(H,29,32);3,6,11,14,20H,4-5,7-10,12-13H2,1-2H3,(H,28,31);6-7,9,17-19H,3-5,8,10-11H2,1-2H3,(H,30,33)/t15?,20-,21+,22-;20-;17?,18?,19-/m111/s1
InChIKeyNZXQTFIBDFHYMI-BBMPVSPTSA-N
MW1300.58 g/mol
LogP8.29
Rot. Bonds15

About 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide

1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide (PubChem CID 159933358) has the molecular formula C72H83F2N19O3 and a molecular weight of 1300.58 g/mol. Its IUPAC name is 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
PubChem CID159933358
Molecular FormulaC72H83F2N19O3
Molecular Weight1300.58 g/mol
Exact Mass1299.69
IUPAC Name1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
SMILESCC1=C2CC[C@@H](NC(=O)c3cnn(Cc4ccc(N5C[C@@H]6C(C)[C@@H]6C5)nc4C)c3)C2=NC1.CC1=C2CC[C@@H](NC(=O)c3cnn(Cc4cnc(N5CC6C(C5)C6(F)F)nc4C)c3)C2=NC1.CC1=NCC2=C1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2C)cn1
InChIInChI=1S/C25H30N6O.C24H28N6O.C23H25F2N7O/c1-14-8-26-24-19(14)5-6-22(24)29-25(32)18-9-27-31(11-18)10-17-4-7-23(28-16(17)3)30-12-20-15(2)21(20)13-30;1-15-17(3-6-22(27-15)30-12-24(13-30)7-8-24)10-29-11-21(26-14-29)23(31)28-20-5-4-18-16(2)25-9-19(18)20;1-12-5-26-20-16(12)3-4-19(20)30-21(33)15-7-28-32(9-15)8-14-6-27-22(29-13(14)2)31-10-17-18(11-31)23(17,24)25/h4,7,9,11,15,20-22H,5-6,8,10,12-13H2,1-3H3,(H,29,32);3,6,11,14,20H,4-5,7-10,12-13H2,1-2H3,(H,28,31);6-7,9,17-19H,3-5,8,10-11H2,1-2H3,(H,30,33)/t15?,20-,21+,22-;20-;17?,18?,19-/m111/s1
InChIKeyNZXQTFIBDFHYMI-BBMPVSPTSA-N
XLogP8.29
TPSA239.12 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001300.58
LogP ≤ 58.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide (CID 159933358) is 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide is CC1=C2CC[C@@H](NC(=O)c3cnn(Cc4ccc(N5C[C@@H]6C(C)[C@@H]6C5)nc4C)c3)C2=NC1.CC1=C2CC[C@@H](NC(=O)c3cnn(Cc4cnc(N5CC6C(C5)C6(F)F)nc4C)c3)C2=NC1.CC1=NCC2=C1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2C)cn1.
What is the InChIKey of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide?
The InChIKey is NZXQTFIBDFHYMI-BBMPVSPTSA-N. The full InChI is InChI=1S/C25H30N6O.C24H28N6O.C23H25F2N7O/c1-14-8-26-24-19(14)5-6-22(24)29-25(32)18-9-27-31(11-18)10-17-4-7-23(28-16(17)3)30-12-20-15(2)21(20)13-30;1-15-17(3-6-22(27-15)30-12-24(13-30)7-8-24)10-29-11-21(26-14-29)23(31)28-20-5-4-18-16(2)25-9-19(18)20;1-12-5-26-20-16(12)3-4-19(20)30-21(33)15-7-28-32(9-15)8-14-6-27-22(29-13(14)2)31-10-17-18(11-31)23(17,24)25/h4,7,9,11,15,20-22H,5-6,8,10,12-13H2,1-3H3,(H,29,32);3,6,11,14,20H,4-5,7-10,12-13H2,1-2H3,(H,28,31);6-7,9,17-19H,3-5,8,10-11H2,1-2H3,(H,30,33)/t15?,20-,21+,22-;20-;17?,18?,19-/m111/s1.
What are the key properties of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide?
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide has a molecular weight of 1300.58 g/mol, XLogP of 8.29, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]imidazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide;1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 159933358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).