N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

C24H27N7O2 — CID 178122436

IUPACN-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(/C=C/c2ccc(CN3CCOCC3)cn2)c2cc(NC(=O)C3CC3)nnc12
InChIInChI=1S/C24H27N7O2/c1-25-23-22-20(12-21(29-30-22)28-24(32)17-3-4-17)18(14-27-23)5-7-19-6-2-16(13-26-19)15-31-8-10-33-11-9-31/h2,5-7,12-14,17H,3-4,8-11,15H2,1H3,(H,25,27)(H,28,29,32)/b7-5+
InChIKeyUBAHLANLJXDUBI-FNORWQNLSA-N
MW445.53 g/mol
LogP2.81
Rot. Bonds7

About N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 178122436) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID178122436
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC NameN-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(/C=C/c2ccc(CN3CCOCC3)cn2)c2cc(NC(=O)C3CC3)nnc12
InChIInChI=1S/C24H27N7O2/c1-25-23-22-20(12-21(29-30-22)28-24(32)17-3-4-17)18(14-27-23)5-7-19-6-2-16(13-26-19)15-31-8-10-33-11-9-31/h2,5-7,12-14,17H,3-4,8-11,15H2,1H3,(H,25,27)(H,28,29,32)/b7-5+
InChIKeyUBAHLANLJXDUBI-FNORWQNLSA-N
XLogP2.81
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[2-[5-[[(2S)-2-cyanoazetidin-1-yl]methyl]-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178121774
N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178122092
N-methyl-1-[[6-(methylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55046042
cis-(1S,2R)-2-methyl-N-[8-(methylamino)-5-[2-[5-[[(3S)-4-methylmorpholin-3-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 178121777
methyl 3-[[6-[2-[3-(cyclopropanecarbonylamino)-8-(methylamino)pyrido[3,4-c]pyridazin-5-yl]ethynyl]-3-pyridinyl]methyl]azetidine-1-carboxylate
CID 178121791
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178121967
N-[8-(methylamino)-5-[2-[5-(1,2,4-triazol-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121846
N-[8-(methylamino)-5-[2-[5-[(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121692
(E)-3-cyclopropyl-N',4,4-trimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pent-2-enimidamide
CID 143659404
2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 84590222
6-(cyclopropanecarbonylamino)-N-methyl-4-morpholin-4-ylpyridazine-3-carboxamide
CID 170919609

Frequently Asked Questions

What is the IUPAC name of N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (CID 178122436) is N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is CNc1ncc(/C=C/c2ccc(CN3CCOCC3)cn2)c2cc(NC(=O)C3CC3)nnc12.
What is the InChIKey of N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is UBAHLANLJXDUBI-FNORWQNLSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-25-23-22-20(12-21(29-30-22)28-24(32)17-3-4-17)18(14-27-23)5-7-19-6-2-16(13-26-19)15-31-8-10-33-11-9-31/h2,5-7,12-14,17H,3-4,8-11,15H2,1H3,(H,25,27)(H,28,29,32)/b7-5+.
What are the key properties of N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 445.53 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).