1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide

C22H22FN9O2 — CID 170627533

IUPAC1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESCNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)C3(F)CC3)nnc12
InChIInChI=1S/C22H22FN9O2/c1-24-20-18-14(10-16(28-29-18)26-21(33)22(23)4-5-22)15(11-25-20)19-27-17-3-2-13(12-32(17)30-19)31-6-8-34-9-7-31/h2-3,10-12H,4-9H2,1H3,(H,24,25)(H,26,28,33)
InChIKeyOVUANGQBVPTUAN-UHFFFAOYSA-N
MW463.48 g/mol
LogP2.05
Rot. Bonds5

About 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide

1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide (PubChem CID 170627533) has the molecular formula C22H22FN9O2 and a molecular weight of 463.48 g/mol. Its IUPAC name is 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
PubChem CID170627533
Molecular FormulaC22H22FN9O2
Molecular Weight463.48 g/mol
Exact Mass463.19
IUPAC Name1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESCNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)C3(F)CC3)nnc12
InChIInChI=1S/C22H22FN9O2/c1-24-20-18-14(10-16(28-29-18)26-21(33)22(23)4-5-22)15(11-25-20)19-27-17-3-2-13(12-32(17)30-19)31-6-8-34-9-7-31/h2-3,10-12H,4-9H2,1H3,(H,24,25)(H,26,28,33)
InChIKeyOVUANGQBVPTUAN-UHFFFAOYSA-N
XLogP2.05
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide (CID 170627533) is 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide is CNc1ncc(-c2nc3ccc(N4CCOCC4)cn3n2)c2cc(NC(=O)C3(F)CC3)nnc12.
What is the InChIKey of 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is OVUANGQBVPTUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN9O2/c1-24-20-18-14(10-16(28-29-18)26-21(33)22(23)4-5-22)15(11-25-20)19-27-17-3-2-13(12-32(17)30-19)31-6-8-34-9-7-31/h2-3,10-12H,4-9H2,1H3,(H,24,25)(H,26,28,33).
What are the key properties of 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide?
1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 463.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[8-(methylamino)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170627533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).