N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine

C18H27N7O — CID 134822710

IUPACN-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine
SMILESCOCCNc1cc(C2NNC3CCC(c4cnn(C)c4)CC32)ncn1
InChIInChI=1S/C18H27N7O/c1-25-10-13(9-22-25)12-3-4-15-14(7-12)18(24-23-15)16-8-17(21-11-20-16)19-5-6-26-2/h8-12,14-15,18,23-24H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyOQIHHFUPKPLNLX-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.37
Rot. Bonds6

About N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine

N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine (PubChem CID 134822710) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine
PubChem CID134822710
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine
SMILESCOCCNc1cc(C2NNC3CCC(c4cnn(C)c4)CC32)ncn1
InChIInChI=1S/C18H27N7O/c1-25-10-13(9-22-25)12-3-4-15-14(7-12)18(24-23-15)16-8-17(21-11-20-16)19-5-6-26-2/h8-12,14-15,18,23-24H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyOQIHHFUPKPLNLX-UHFFFAOYSA-N
XLogP1.37
TPSA88.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

3-[6-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134822714
6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 91794404
N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine
CID 78321525
N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine
CID 72843204
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
6-N-(2-methoxyethyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 94672485
N-(2-methoxyethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742275
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
5-[(2S)-1-methoxypropan-2-yl]oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134822825
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125160794
(2S)-4-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 134822891
3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780188

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine (CID 134822710) is N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine is COCCNc1cc(C2NNC3CCC(c4cnn(C)c4)CC32)ncn1.
What is the InChIKey of N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine?
The InChIKey is OQIHHFUPKPLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-25-10-13(9-22-25)12-3-4-15-14(7-12)18(24-23-15)16-8-17(21-11-20-16)19-5-6-26-2/h8-12,14-15,18,23-24H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine?
N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 134822710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).