N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide

C23H15Cl2N7O — CID 134178029

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide
SMILESN#Cc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)NCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C23H15Cl2N7O/c24-15-2-4-20-17(7-15)22(30-29-20)10-28-23(33)18-12-32(31-21(18)8-26)11-13-1-3-19-14(5-13)6-16(25)9-27-19/h1-7,9,12H,10-11H2,(H,28,33)(H,29,30)
InChIKeySEMGAPGVYHRCIB-UHFFFAOYSA-N
MW476.33 g/mol
LogP4.46
Rot. Bonds5

About N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide

N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide (PubChem CID 134178029) has the molecular formula C23H15Cl2N7O and a molecular weight of 476.33 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide
PubChem CID134178029
Molecular FormulaC23H15Cl2N7O
Molecular Weight476.33 g/mol
Exact Mass475.07
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide
SMILESN#Cc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)NCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C23H15Cl2N7O/c24-15-2-4-20-17(7-15)22(30-29-20)10-28-23(33)18-12-32(31-21(18)8-26)11-13-1-3-19-14(5-13)6-16(25)9-27-19/h1-7,9,12H,10-11H2,(H,28,33)(H,29,30)
InChIKeySEMGAPGVYHRCIB-UHFFFAOYSA-N
XLogP4.46
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.33
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide (CID 134178029) is N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide is N#Cc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)NCc1[nH]nc2ccc(Cl)cc12.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide?
The InChIKey is SEMGAPGVYHRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N7O/c24-15-2-4-20-17(7-15)22(30-29-20)10-28-23(33)18-12-32(31-21(18)8-26)11-13-1-3-19-14(5-13)6-16(25)9-27-19/h1-7,9,12H,10-11H2,(H,28,33)(H,29,30).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide has a molecular weight of 476.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide is sourced from PubChem (CID 134178029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).