8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine

C21H23N7O — CID 178122106

IUPAC8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine
SMILESCNc1ncc(C#Cc2ccc(CN3CCO[C@H](C)C3)cn2)c2cc(N)nnc12
InChIInChI=1S/C21H23N7O/c1-14-12-28(7-8-29-14)13-15-3-5-17(24-10-15)6-4-16-11-25-21(23-2)20-18(16)9-19(22)26-27-20/h3,5,9-11,14H,7-8,12-13H2,1-2H3,(H2,22,26)(H,23,25)/t14-/m1/s1
InChIKeyMXRZFXXWKYVGFI-CQSZACIVSA-N
MW389.46 g/mol
LogP1.66
Rot. Bonds3

About 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine

8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine (PubChem CID 178122106) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine.

Molecular Properties

Compound Name8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine
PubChem CID178122106
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine
SMILESCNc1ncc(C#Cc2ccc(CN3CCO[C@H](C)C3)cn2)c2cc(N)nnc12
InChIInChI=1S/C21H23N7O/c1-14-12-28(7-8-29-14)13-15-3-5-17(24-10-15)6-4-16-11-25-21(23-2)20-18(16)9-19(22)26-27-20/h3,5,9-11,14H,7-8,12-13H2,1-2H3,(H2,22,26)(H,23,25)/t14-/m1/s1
InChIKeyMXRZFXXWKYVGFI-CQSZACIVSA-N
XLogP1.66
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]hydrazine
CID 62244989
1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine
CID 178122466
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-[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
cis-(1S,2R)-2-methyl-N-[5-[2-[5-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-pyridinyl]ethynyl]-8-(trideuteriomethylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 178122712
N-[8-(methylamino)-5-[2-[5-(1,2,4-triazol-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121846
4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylmorpholine
CID 87015309
5-[(2-methylmorpholin-4-yl)methyl]-1,3-oxazol-2-amine
CID 130701602
N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
CID 62972985
N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178122436
N-methyl-1-[2-[(2-methylmorpholin-4-yl)methyl]-3-pyridinyl]methanamine
CID 114198961
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-nitropyridin-2-amine
CID 47982157

Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine?
The IUPAC name of 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine (CID 178122106) is 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine.
What is the SMILES notation for 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine?
The canonical SMILES for 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine is CNc1ncc(C#Cc2ccc(CN3CCO[C@H](C)C3)cn2)c2cc(N)nnc12.
What is the InChIKey of 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine?
The InChIKey is MXRZFXXWKYVGFI-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O/c1-14-12-28(7-8-29-14)13-15-3-5-17(24-10-15)6-4-16-11-25-21(23-2)20-18(16)9-19(22)26-27-20/h3,5,9-11,14H,7-8,12-13H2,1-2H3,(H2,22,26)(H,23,25)/t14-/m1/s1.
What are the key properties of 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine?
8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine has a molecular weight of 389.46 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine is sourced from PubChem (CID 178122106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).