N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C23H19N7O — CID 170677939

IUPACN-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(C#Cc2ccc(-n3cccn3)cn2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C23H19N7O/c1-24-22-20-14-26-21(29-23(31)15-3-4-15)11-19(20)16(12-27-22)5-6-17-7-8-18(13-25-17)30-10-2-9-28-30/h2,7-15H,3-4H2,1H3,(H,24,27)(H,26,29,31)
InChIKeyWEKKKCXWJTUQDL-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.00
Rot. Bonds4

About N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677939) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170677939
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC NameN-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(C#Cc2ccc(-n3cccn3)cn2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C23H19N7O/c1-24-22-20-14-26-21(29-23(31)15-3-4-15)11-19(20)16(12-27-22)5-6-17-7-8-18(13-25-17)30-10-2-9-28-30/h2,7-15H,3-4H2,1H3,(H,24,27)(H,26,29,31)
InChIKeyWEKKKCXWJTUQDL-UHFFFAOYSA-N
XLogP3.00
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677939) is N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(C#Cc2ccc(-n3cccn3)cn2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is WEKKKCXWJTUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-24-22-20-14-26-21(29-23(31)15-3-4-15)11-19(20)16(12-27-22)5-6-17-7-8-18(13-25-17)30-10-2-9-28-30/h2,7-15H,3-4H2,1H3,(H,24,27)(H,26,29,31).
What are the key properties of N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).