N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

C20H19N7O2 — CID 178121967

IUPACN-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2cc3ccc(OC)cn3n2)c2cc(NC(=O)C3CC3)nnc12
InChIInChI=1S/C20H19N7O2/c1-21-19-18-14(8-17(24-25-18)23-20(28)11-3-4-11)15(9-22-19)16-7-12-5-6-13(29-2)10-27(12)26-16/h5-11H,3-4H2,1-2H3,(H,21,22)(H,23,24,28)
InChIKeyRUCCMYNZFVIGSB-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.74
Rot. Bonds5

About N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 178121967) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID178121967
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC NameN-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2cc3ccc(OC)cn3n2)c2cc(NC(=O)C3CC3)nnc12
InChIInChI=1S/C20H19N7O2/c1-21-19-18-14(8-17(24-25-18)23-20(28)11-3-4-11)15(9-22-19)16-7-12-5-6-13(29-2)10-27(12)26-16/h5-11H,3-4H2,1-2H3,(H,21,22)(H,23,24,28)
InChIKeyRUCCMYNZFVIGSB-UHFFFAOYSA-N
XLogP2.74
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (CID 178121967) is N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is CNc1ncc(-c2cc3ccc(OC)cn3n2)c2cc(NC(=O)C3CC3)nnc12.
What is the InChIKey of N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is RUCCMYNZFVIGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-21-19-18-14(8-17(24-25-18)23-20(28)11-3-4-11)15(9-22-19)16-7-12-5-6-13(29-2)10-27(12)26-16/h5-11H,3-4H2,1-2H3,(H,21,22)(H,23,24,28).
What are the key properties of N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178121967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).