4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C45H32Cl3F3N8O2 — CID 135257933

IUPAC4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)c1nn(-c2ccc(C3CC3c3nn(-c4ccccc4)c4ncc(C(=O)Nc5ccc(Cl)cc5)c(Cl)c34)cc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12
InChIInChI=1S/C45H32Cl3F3N8O2/c1-23(2)39-35-37(47)33(43(60)54-27-14-10-25(11-15-27)45(49,50)51)21-52-41(35)59(56-39)30-18-8-24(9-19-30)31-20-32(31)40-36-38(48)34(44(61)55-28-16-12-26(46)13-17-28)22-53-42(36)58(57-40)29-6-4-3-5-7-29/h3-19,21-23,31-32H,20H2,1-2H3,(H,54,60)(H,55,61)
InChIKeyUSGGPJGDNCFATN-UHFFFAOYSA-N
MW880.16 g/mol
LogP12.03
Rot. Bonds9

About 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 135257933) has the molecular formula C45H32Cl3F3N8O2 and a molecular weight of 880.16 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID135257933
Molecular FormulaC45H32Cl3F3N8O2
Molecular Weight880.16 g/mol
Exact Mass878.17
IUPAC Name4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)c1nn(-c2ccc(C3CC3c3nn(-c4ccccc4)c4ncc(C(=O)Nc5ccc(Cl)cc5)c(Cl)c34)cc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12
InChIInChI=1S/C45H32Cl3F3N8O2/c1-23(2)39-35-37(47)33(43(60)54-27-14-10-25(11-15-27)45(49,50)51)21-52-41(35)59(56-39)30-18-8-24(9-19-30)31-20-32(31)40-36-38(48)34(44(61)55-28-16-12-26(46)13-17-28)22-53-42(36)58(57-40)29-6-4-3-5-7-29/h3-19,21-23,31-32H,20H2,1-2H3,(H,54,60)(H,55,61)
InChIKeyUSGGPJGDNCFATN-UHFFFAOYSA-N
XLogP12.03
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.16
LogP ≤ 512.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 135257933) is 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)c1nn(-c2ccc(C3CC3c3nn(-c4ccccc4)c4ncc(C(=O)Nc5ccc(Cl)cc5)c(Cl)c34)cc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is USGGPJGDNCFATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32Cl3F3N8O2/c1-23(2)39-35-37(47)33(43(60)54-27-14-10-25(11-15-27)45(49,50)51)21-52-41(35)59(56-39)30-18-8-24(9-19-30)31-20-32(31)40-36-38(48)34(44(61)55-28-16-12-26(46)13-17-28)22-53-42(36)58(57-40)29-6-4-3-5-7-29/h3-19,21-23,31-32H,20H2,1-2H3,(H,54,60)(H,55,61).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 880.16 g/mol, XLogP of 12.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-3-[2-[4-[4-chloro-3-propan-2-yl-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridin-1-yl]phenyl]cyclopropyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135257933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).