1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

C34H43F2N7O2 — CID 143350130

IUPAC1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCCCNC(=O)N1CCc2c(nc(C)n2C2C[C@H]3CC[C@@H](C2)N3CCCN(C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C34H43F2N7O2/c1-3-16-37-33(44)40-19-15-32-31(22-40)38-23(2)43(32)30-20-28-13-14-29(21-30)41(28)17-4-18-42(27-11-7-25(36)8-12-27)34(45)39-26-9-5-24(35)6-10-26/h5-12,28-30H,3-4,13-22H2,1-2H3,(H,37,44)(H,39,45)/t28-,29+,30?
InChIKeyXPBODBULNCIPEJ-BWMKXQIXSA-N
MW619.76 g/mol
LogP6.24
Rot. Bonds9

About 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 143350130) has the molecular formula C34H43F2N7O2 and a molecular weight of 619.76 g/mol. Its IUPAC name is 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
PubChem CID143350130
Molecular FormulaC34H43F2N7O2
Molecular Weight619.76 g/mol
Exact Mass619.34
IUPAC Name1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCCCNC(=O)N1CCc2c(nc(C)n2C2C[C@H]3CC[C@@H](C2)N3CCCN(C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C34H43F2N7O2/c1-3-16-37-33(44)40-19-15-32-31(22-40)38-23(2)43(32)30-20-28-13-14-29(21-30)41(28)17-4-18-42(27-11-7-25(36)8-12-27)34(45)39-26-9-5-24(35)6-10-26/h5-12,28-30H,3-4,13-22H2,1-2H3,(H,37,44)(H,39,45)/t28-,29+,30?
InChIKeyXPBODBULNCIPEJ-BWMKXQIXSA-N
XLogP6.24
TPSA85.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.76
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (CID 143350130) is 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is CCCNC(=O)N1CCc2c(nc(C)n2C2C[C@H]3CC[C@@H](C2)N3CCCN(C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is XPBODBULNCIPEJ-BWMKXQIXSA-N. The full InChI is InChI=1S/C34H43F2N7O2/c1-3-16-37-33(44)40-19-15-32-31(22-40)38-23(2)43(32)30-20-28-13-14-29(21-30)41(28)17-4-18-42(27-11-7-25(36)8-12-27)34(45)39-26-9-5-24(35)6-10-26/h5-12,28-30H,3-4,13-22H2,1-2H3,(H,37,44)(H,39,45)/t28-,29+,30?.
What are the key properties of 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 619.76 g/mol, XLogP of 6.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-8-[3-[4-fluoro-N-[(4-fluorophenyl)carbamoyl]anilino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 143350130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).