carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide

C66H67F3N18O6 — CID 160886011

IUPACcarbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C(=O)N=[N+]=[N-].O=C=O
InChIInChI=1S/C22H21FN8O2.C22H24FN5O.C21H22FN5O.CO2/c1-11(2)31-10-25-28-20(31)18-5-4-6-19(26-18)27-21(32)16-8-13(12(3)7-17(16)23)14-9-15(14)22(33)29-30-24;1-12(2)28-11-24-27-21(28)19-6-5-7-20(25-19)26-22(29)17-10-16(15-8-13(15)3)14(4)9-18(17)23;1-12(2)27-11-23-26-20(27)18-5-4-6-19(24-18)25-21(28)16-10-15(14-7-8-14)13(3)9-17(16)22;2-1-3/h4-8,10-11,14-15H,9H2,1-3H3,(H,26,27,32);5-7,9-13,15H,8H2,1-4H3,(H,25,26,29);4-6,9-12,14H,7-8H2,1-3H3,(H,24,25,28);
InChIKeySNQIWWXMQPFQFQ-UHFFFAOYSA-N
MW1265.38 g/mol
LogP13.22
Rot. Bonds16

About carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide

carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide (PubChem CID 160886011) has the molecular formula C66H67F3N18O6 and a molecular weight of 1265.38 g/mol. Its IUPAC name is carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide.

Molecular Properties

Compound Namecarbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide
PubChem CID160886011
Molecular FormulaC66H67F3N18O6
Molecular Weight1265.38 g/mol
Exact Mass1264.54
IUPAC Namecarbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C(=O)N=[N+]=[N-].O=C=O
InChIInChI=1S/C22H21FN8O2.C22H24FN5O.C21H22FN5O.CO2/c1-11(2)31-10-25-28-20(31)18-5-4-6-19(26-18)27-21(32)16-8-13(12(3)7-17(16)23)14-9-15(14)22(33)29-30-24;1-12(2)28-11-24-27-21(28)19-6-5-7-20(25-19)26-22(29)17-10-16(15-8-13(15)3)14(4)9-18(17)23;1-12(2)27-11-23-26-20(27)18-5-4-6-19(24-18)25-21(28)16-10-15(14-7-8-14)13(3)9-17(16)22;2-1-3/h4-8,10-11,14-15H,9H2,1-3H3,(H,26,27,32);5-7,9-13,15H,8H2,1-4H3,(H,25,26,29);4-6,9-12,14H,7-8H2,1-3H3,(H,24,25,28);
InChIKeySNQIWWXMQPFQFQ-UHFFFAOYSA-N
XLogP13.22
TPSA318.07 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.38
LogP ≤ 513.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-(1-(1-(2-aminoacetyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 90246264
N-(6-(4-(4-Fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2,4-dimethyl-5-(pyridin-3-yl)benzamide
CID 118538663
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 118538730
N-(6-(1-(1-(2-cyanoethyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 136214281
USRE48711, Example 224
CID 58102973
US10450301, Example 27
CID 135387844
US10253018, Example 40
CID 138525711
US10450301, Example 51
CID 145751416
US10450301, Example 45
CID 145751423
US10450301, Example 41
CID 145751480
US10450301, Example 52
CID 145751517
US10450301, Example 44
CID 145751525

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide?
The IUPAC name of carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide (CID 160886011) is carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide.
What is the SMILES notation for carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide?
The canonical SMILES for carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C(=O)N=[N+]=[N-].O=C=O.
What is the InChIKey of carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide?
The InChIKey is SNQIWWXMQPFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O2.C22H24FN5O.C21H22FN5O.CO2/c1-11(2)31-10-25-28-20(31)18-5-4-6-19(26-18)27-21(32)16-8-13(12(3)7-17(16)23)14-9-15(14)22(33)29-30-24;1-12(2)28-11-24-27-21(28)19-6-5-7-20(25-19)26-22(29)17-10-16(15-8-13(15)3)14(4)9-18(17)23;1-12(2)27-11-23-26-20(27)18-5-4-6-19(24-18)25-21(28)16-10-15(14-7-8-14)13(3)9-17(16)22;2-1-3/h4-8,10-11,14-15H,9H2,1-3H3,(H,26,27,32);5-7,9-13,15H,8H2,1-4H3,(H,25,26,29);4-6,9-12,14H,7-8H2,1-3H3,(H,24,25,28);.
What are the key properties of carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide?
carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide has a molecular weight of 1265.38 g/mol, XLogP of 13.22, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-cyclopropyl-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-[4-fluoro-2-methyl-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]cyclopropane-1-carbonyl azide is sourced from PubChem (CID 160886011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).