N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide

C26H22Cl2N4O — CID 177097870

IUPACN-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCc1nn2c(C(C)C)cc(C(=O)N(C)c3ccc(C#N)cc3)cc2c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H22Cl2N4O/c1-15(2)23-11-19(26(33)31(4)22-7-5-17(14-29)6-8-22)12-24-25(16(3)30-32(23)24)18-9-20(27)13-21(28)10-18/h5-13,15H,1-4H3
InChIKeyMCHAHRNXKSHWBN-UHFFFAOYSA-N
MW477.40 g/mol
LogP6.89
Rot. Bonds4

About N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide

N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 177097870) has the molecular formula C26H22Cl2N4O and a molecular weight of 477.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID177097870
Molecular FormulaC26H22Cl2N4O
Molecular Weight477.40 g/mol
Exact Mass476.12
IUPAC NameN-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCc1nn2c(C(C)C)cc(C(=O)N(C)c3ccc(C#N)cc3)cc2c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H22Cl2N4O/c1-15(2)23-11-19(26(33)31(4)22-7-5-17(14-29)6-8-22)12-24-25(16(3)30-32(23)24)18-9-20(27)13-21(28)10-18/h5-13,15H,1-4H3
InChIKeyMCHAHRNXKSHWBN-UHFFFAOYSA-N
XLogP6.89
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.40
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide (CID 177097870) is N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide is Cc1nn2c(C(C)C)cc(C(=O)N(C)c3ccc(C#N)cc3)cc2c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is MCHAHRNXKSHWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O/c1-15(2)23-11-19(26(33)31(4)22-7-5-17(14-29)6-8-22)12-24-25(16(3)30-32(23)24)18-9-20(27)13-21(28)10-18/h5-13,15H,1-4H3.
What are the key properties of N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide?
N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 477.40 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-N,2-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 177097870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).