7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one

C17H21FN8O — CID 177378747

IUPAC7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCn1cc(Nc2nc(NC3CCCCC3N)c(F)c3cn[nH]c(=O)c23)cn1
InChIInChI=1S/C17H21FN8O/c1-26-8-9(6-21-26)22-15-13-10(7-20-25-17(13)27)14(18)16(24-15)23-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H,25,27)(H2,22,23,24)
InChIKeyKIEVUSAUPNUFIN-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.62
Rot. Bonds4

About 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one

7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 177378747) has the molecular formula C17H21FN8O and a molecular weight of 372.41 g/mol. Its IUPAC name is 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID177378747
Molecular FormulaC17H21FN8O
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Name7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCn1cc(Nc2nc(NC3CCCCC3N)c(F)c3cn[nH]c(=O)c23)cn1
InChIInChI=1S/C17H21FN8O/c1-26-8-9(6-21-26)22-15-13-10(7-20-25-17(13)27)14(18)16(24-15)23-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H,25,27)(H2,22,23,24)
InChIKeyKIEVUSAUPNUFIN-UHFFFAOYSA-N
XLogP1.62
TPSA126.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one with MolForge

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Related Compounds

Mivavotinib
CID 53252276
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567109
8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137174995
8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 138393333
8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138393339
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[4,6-dimethyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 118733351
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
US11344549, Example 133
CID 141747746
US11344549, Example 148
CID 141747831
US11344549, Example 132
CID 141747834

Frequently Asked Questions

What is the IUPAC name of 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one (CID 177378747) is 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one is Cn1cc(Nc2nc(NC3CCCCC3N)c(F)c3cn[nH]c(=O)c23)cn1.
What is the InChIKey of 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is KIEVUSAUPNUFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN8O/c1-26-8-9(6-21-26)22-15-13-10(7-20-25-17(13)27)14(18)16(24-15)23-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H,25,27)(H2,22,23,24).
What are the key properties of 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 372.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(1-methylpyrazol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 177378747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).