N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide

C23H19ClN8O2 — CID 134609883

IUPACN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
SMILESCOC(C)c1c(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnn1-c1cccc2ncccc12
InChIInChI=1S/C23H19ClN8O2/c1-14(34-2)21-17(13-29-31(21)20-7-3-6-19-16(20)5-4-8-25-19)23(33)30-15-11-18(24)22(26-12-15)32-27-9-10-28-32/h3-14H,1-2H3,(H,30,33)
InChIKeyUWPMXYMBXWAXQE-UHFFFAOYSA-N
MW474.91 g/mol
LogP4.01
Rot. Bonds6

About N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide (PubChem CID 134609883) has the molecular formula C23H19ClN8O2 and a molecular weight of 474.91 g/mol. Its IUPAC name is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
PubChem CID134609883
Molecular FormulaC23H19ClN8O2
Molecular Weight474.91 g/mol
Exact Mass474.13
IUPAC NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
SMILESCOC(C)c1c(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnn1-c1cccc2ncccc12
InChIInChI=1S/C23H19ClN8O2/c1-14(34-2)21-17(13-29-31(21)20-7-3-6-19-16(20)5-4-8-25-19)23(33)30-15-11-18(24)22(26-12-15)32-27-9-10-28-32/h3-14H,1-2H3,(H,30,33)
InChIKeyUWPMXYMBXWAXQE-UHFFFAOYSA-N
XLogP4.01
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.91
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide (CID 134609883) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide is COC(C)c1c(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnn1-c1cccc2ncccc12.
What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The InChIKey is UWPMXYMBXWAXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN8O2/c1-14(34-2)21-17(13-29-31(21)20-7-3-6-19-16(20)5-4-8-25-19)23(33)30-15-11-18(24)22(26-12-15)32-27-9-10-28-32/h3-14H,1-2H3,(H,30,33).
What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide has a molecular weight of 474.91 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(1-methoxyethyl)-1-quinolin-5-ylpyrazole-4-carboxamide is sourced from PubChem (CID 134609883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).