N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

C24H25N7O3 — CID 178122717

IUPACN-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCCNc1ncc(-c2nc3cc(N4CCOCC4)ccc3o2)c2cc(NC(=O)C3CC3)nnc12
InChIInChI=1S/C24H25N7O3/c1-2-25-22-21-16(12-20(29-30-21)28-23(32)14-3-4-14)17(13-26-22)24-27-18-11-15(5-6-19(18)34-24)31-7-9-33-10-8-31/h5-6,11-14H,2-4,7-10H2,1H3,(H,25,26)(H,28,29,32)
InChIKeyYAMYSFXCSCLNHE-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.45
Rot. Bonds6

About N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 178122717) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID178122717
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCCNc1ncc(-c2nc3cc(N4CCOCC4)ccc3o2)c2cc(NC(=O)C3CC3)nnc12
InChIInChI=1S/C24H25N7O3/c1-2-25-22-21-16(12-20(29-30-21)28-23(32)14-3-4-14)17(13-26-22)24-27-18-11-15(5-6-19(18)34-24)31-7-9-33-10-8-31/h5-6,11-14H,2-4,7-10H2,1H3,(H,25,26)(H,28,29,32)
InChIKeyYAMYSFXCSCLNHE-UHFFFAOYSA-N
XLogP3.45
TPSA118.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

cis-(1S,2R)-2-methyl-N-[8-(methylamino)-5-(6-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 178122915
N-[5-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678127
N-[5-[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677636
cis-(1S,2R)-N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122139
N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626515
N-[5-[5-(3-methoxypyrrolidin-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174204243
N-[5-[5-(4-acetyl-6-ethyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182671
(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
CID 170626807
N-[5-[5-(6-methoxy-4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182679
N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627093
N-[8-(methylamino)-5-[5-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;hydrochloride
CID 170626542
N-[8-(ethylamino)-5-(6-morpholin-4-ylpyrazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627032

Frequently Asked Questions

What is the IUPAC name of N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (CID 178122717) is N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is CCNc1ncc(-c2nc3cc(N4CCOCC4)ccc3o2)c2cc(NC(=O)C3CC3)nnc12.
What is the InChIKey of N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is YAMYSFXCSCLNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-2-25-22-21-16(12-20(29-30-21)28-23(32)14-3-4-14)17(13-26-22)24-27-18-11-15(5-6-19(18)34-24)31-7-9-33-10-8-31/h5-6,11-14H,2-4,7-10H2,1H3,(H,25,26)(H,28,29,32).
What are the key properties of N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(ethylamino)-5-(5-morpholin-4-yl-1,3-benzoxazol-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).