N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide (PubChem CID 158514885) has the molecular formula C79H53ClF9N19O6S and a molecular weight of 1602.92 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name	N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
PubChem CID	158514885
Molecular Formula	C79H53ClF9N19O6S
Molecular Weight	1602.92 g/mol
Exact Mass	1601.37
IUPAC Name	N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
SMILES	Cc1occc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.N#Cc1cncc2c1c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12)c1cccnn1
InChI	InChI=1S/C21H16N4O2.C20H12F3N5O2.C19H12ClF3N6O.C19H13F3N4OS/c1-14-17(10-11-27-14)21(26)23-20-18-4-2-3-5-19(18)25(24-20)13-16-8-6-15(12-22)7-9-16;21-20(22,23)15-3-1-12(2-4-15)10-28-16-9-25-8-14(7-24)17(16)18(27-28)26-19(29)13-5-6-30-11-13;20-13-8-24-9-15-16(13)17(26-18(30)14-2-1-7-25-27-14)28-29(15)10-11-3-5-12(6-4-11)19(21,22)23;20-19(21,22)13-7-5-12(6-8-13)11-26-16-4-2-1-3-14(16)17(24-26)23-18(27)15-9-10-28-25-15/h2-11H,13H2,1H3,(H,23,24,26);1-6,8-9,11H,10H2,(H,26,27,29);1-9H,10H2,(H,26,28,30);1-10H,11H2,(H,23,24,27)
InChIKey	HLMVKRBGHYNIFZ-UHFFFAOYSA-N
XLogP	17.33
TPSA	325.99 Å²
H-Bond Donors	4
H-Bond Acceptors	22
Rotatable Bonds	16
Heavy Atoms	115
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1602.92
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Analyze N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?

The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide (CID 158514885) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide.

What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?

The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.N#Cc1cncc2c1c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12)c1cccnn1.

What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?

The InChIKey is HLMVKRBGHYNIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2.C20H12F3N5O2.C19H12ClF3N6O.C19H13F3N4OS/c1-14-17(10-11-27-14)21(26)23-20-18-4-2-3-5-19(18)25(24-20)13-16-8-6-15(12-22)7-9-16;21-20(22,23)15-3-1-12(2-4-15)10-28-16-9-25-8-14(7-24)17(16)18(27-28)26-19(29)13-5-6-30-11-13;20-13-8-24-9-15-16(13)17(26-18(30)14-2-1-7-25-27-14)28-29(15)10-11-3-5-12(6-4-11)19(21,22)23;20-19(21,22)13-7-5-12(6-8-13)11-26-16-4-2-1-3-14(16)17(24-26)23-18(27)15-9-10-28-25-15/h2-11H,13H2,1H3,(H,23,24,26);1-6,8-9,11H,10H2,(H,26,27,29);1-9H,10H2,(H,26,28,30);1-10H,11H2,(H,23,24,27).

What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?

Where does this data come from?

All data for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 158514885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).