4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide

C21H19Cl2N5O — CID 164613342

IUPAC4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
SMILESCc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C
InChIInChI=1S/C21H19Cl2N5O/c1-11-4-14(24-9-16(11)17-10-28(3)27-12(17)2)8-25-21(29)20-7-15-18(23)5-13(22)6-19(15)26-20/h4-7,9-10,26H,8H2,1-3H3,(H,25,29)
InChIKeyFBOYGPXCZNJDGZ-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.82
Rot. Bonds4

About 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide

4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide (PubChem CID 164613342) has the molecular formula C21H19Cl2N5O and a molecular weight of 428.32 g/mol. Its IUPAC name is 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
PubChem CID164613342
Molecular FormulaC21H19Cl2N5O
Molecular Weight428.32 g/mol
Exact Mass427.10
IUPAC Name4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
SMILESCc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C
InChIInChI=1S/C21H19Cl2N5O/c1-11-4-14(24-9-16(11)17-10-28(3)27-12(17)2)8-25-21(29)20-7-15-18(23)5-13(22)6-19(15)26-20/h4-7,9-10,26H,8H2,1-3H3,(H,25,29)
InChIKeyFBOYGPXCZNJDGZ-UHFFFAOYSA-N
XLogP4.82
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide (CID 164613342) is 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide is Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C.
What is the InChIKey of 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is FBOYGPXCZNJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O/c1-11-4-14(24-9-16(11)17-10-28(3)27-12(17)2)8-25-21(29)20-7-15-18(23)5-13(22)6-19(15)26-20/h4-7,9-10,26H,8H2,1-3H3,(H,25,29).
What are the key properties of 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide?
4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 428.32 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 164613342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).