6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide

C110H100F5N19O10 — CID 167560068

IUPAC6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide
SMILESC#Cc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1OCC.CC#Cc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1OCC.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC(C)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OC(C)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OC2CC2)n1
InChIInChI=1S/C23H19F3N4O2.C23H20F2N4O2.C23H21N5O2.C21H21N3O2.C20H19N3O2/c1-23(25,26)32-20-9-15(6-7-19(20)14-4-3-5-18(24)8-14)22(31)30(2)13-17-11-27-10-16-12-28-29-21(16)17;1-23(24,25)31-20-10-16(8-9-19(20)15-6-4-3-5-7-15)22(30)29(2)14-18-12-26-11-17-13-27-28-21(17)18;1-28(14-17-12-24-11-16-13-25-27-21(16)17)23(29)20-10-9-19(15-5-3-2-4-6-15)22(26-20)30-18-7-8-18;1-4-7-15-10-11-16(12-19(15)26-5-2)21(25)24(3)14-18-9-6-8-17-13-22-23-20(17)18;1-4-14-9-10-15(11-18(14)25-5-2)20(24)23(3)13-17-8-6-7-16-12-21-22-19(16)17/h3-12H,13H2,1-2H3,(H,28,29);3-13H,14H2,1-2H3,(H,27,28);2-6,9-13,18H,7-8,14H2,1H3,(H,25,27);6,8-13H,5,14H2,1-3H3,(H,22,23);1,6-12H,5,13H2,2-3H3,(H,21,22)
InChIKeyDNNNQMWZSGLHCW-UHFFFAOYSA-N
MW1943.12 g/mol
LogP20.57
Rot. Bonds28

About 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide

6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide (PubChem CID 167560068) has the molecular formula C110H100F5N19O10 and a molecular weight of 1943.12 g/mol. Its IUPAC name is 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide.

Molecular Properties

Compound Name6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide
PubChem CID167560068
Molecular FormulaC110H100F5N19O10
Molecular Weight1943.12 g/mol
Exact Mass1941.78
IUPAC Name6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide
SMILESC#Cc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1OCC.CC#Cc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1OCC.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC(C)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OC(C)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OC2CC2)n1
InChIInChI=1S/C23H19F3N4O2.C23H20F2N4O2.C23H21N5O2.C21H21N3O2.C20H19N3O2/c1-23(25,26)32-20-9-15(6-7-19(20)14-4-3-5-18(24)8-14)22(31)30(2)13-17-11-27-10-16-12-28-29-21(16)17;1-23(24,25)31-20-10-16(8-9-19(20)15-6-4-3-5-7-15)22(30)29(2)14-18-12-26-11-17-13-27-28-21(17)18;1-28(14-17-12-24-11-16-13-25-27-21(16)17)23(29)20-10-9-19(15-5-3-2-4-6-15)22(26-20)30-18-7-8-18;1-4-7-15-10-11-16(12-19(15)26-5-2)21(25)24(3)14-18-9-6-8-17-13-22-23-20(17)18;1-4-14-9-10-15(11-18(14)25-5-2)20(24)23(3)13-17-8-6-7-16-12-21-22-19(16)17/h3-12H,13H2,1-2H3,(H,28,29);3-13H,14H2,1-2H3,(H,27,28);2-6,9-13,18H,7-8,14H2,1H3,(H,25,27);6,8-13H,5,14H2,1-3H3,(H,22,23);1,6-12H,5,13H2,2-3H3,(H,21,22)
InChIKeyDNNNQMWZSGLHCW-UHFFFAOYSA-N
XLogP20.57
TPSA342.66 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.12
LogP ≤ 520.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide?
The IUPAC name of 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide (CID 167560068) is 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide.
What is the SMILES notation for 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide?
The canonical SMILES for 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide is C#Cc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1OCC.CC#Cc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1OCC.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC(C)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OC(C)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OC2CC2)n1.
What is the InChIKey of 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide?
The InChIKey is DNNNQMWZSGLHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2.C23H20F2N4O2.C23H21N5O2.C21H21N3O2.C20H19N3O2/c1-23(25,26)32-20-9-15(6-7-19(20)14-4-3-5-18(24)8-14)22(31)30(2)13-17-11-27-10-16-12-28-29-21(16)17;1-23(24,25)31-20-10-16(8-9-19(20)15-6-4-3-5-7-15)22(30)29(2)14-18-12-26-11-17-13-27-28-21(17)18;1-28(14-17-12-24-11-16-13-25-27-21(16)17)23(29)20-10-9-19(15-5-3-2-4-6-15)22(26-20)30-18-7-8-18;1-4-7-15-10-11-16(12-19(15)26-5-2)21(25)24(3)14-18-9-6-8-17-13-22-23-20(17)18;1-4-14-9-10-15(11-18(14)25-5-2)20(24)23(3)13-17-8-6-7-16-12-21-22-19(16)17/h3-12H,13H2,1-2H3,(H,28,29);3-13H,14H2,1-2H3,(H,27,28);2-6,9-13,18H,7-8,14H2,1H3,(H,25,27);6,8-13H,5,14H2,1-3H3,(H,22,23);1,6-12H,5,13H2,2-3H3,(H,21,22).
What are the key properties of 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide?
6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide has a molecular weight of 1943.12 g/mol, XLogP of 20.57, 28 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide is sourced from PubChem (CID 167560068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).