N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine

C17H18F3N7O2 — CID 163407442

IUPACN-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESCOc1ccnc(OCCCN)c1-c1cc(Nc2cnc(C(F)(F)F)cn2)n[nH]1
InChIInChI=1S/C17H18F3N7O2/c1-28-11-3-5-22-16(29-6-2-4-21)15(11)10-7-13(27-26-10)25-14-9-23-12(8-24-14)17(18,19)20/h3,5,7-9H,2,4,6,21H2,1H3,(H2,24,25,26,27)
InChIKeyNXKRYKBUTLHUGT-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.76
Rot. Bonds8

About N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine

N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 163407442) has the molecular formula C17H18F3N7O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID163407442
Molecular FormulaC17H18F3N7O2
Molecular Weight409.37 g/mol
Exact Mass409.15
IUPAC NameN-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESCOc1ccnc(OCCCN)c1-c1cc(Nc2cnc(C(F)(F)F)cn2)n[nH]1
InChIInChI=1S/C17H18F3N7O2/c1-28-11-3-5-22-16(29-6-2-4-21)15(11)10-7-13(27-26-10)25-14-9-23-12(8-24-14)17(18,19)20/h3,5,7-9H,2,4,6,21H2,1H3,(H2,24,25,26,27)
InChIKeyNXKRYKBUTLHUGT-UHFFFAOYSA-N
XLogP2.76
TPSA123.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine
CID 89197637
N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-isocyanopyrazin-2-amine;methane
CID 159678727
3-[[3-(3-amino-1H-pyrazol-5-yl)-4-methoxy-2-pyridinyl]oxy]propyl carbamate
CID 175445705
5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 163407435
N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-N'-(2,2-diaminoethenyl)carbamimidoyl fluoride
CID 146187995
6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one
CID 177233863
hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
CID 173055366
[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130116089
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-amine
CID 106750124
N-[3-(3-fluoro-4-methoxyphenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
CID 166626108
N-[5-(2-fluoro-6-methoxy-4-piperazin-1-ylphenyl)-1H-pyrazol-3-yl]-5-isocyanopyrazin-2-amine
CID 140756722
5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 163407467

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine (CID 163407442) is N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine is COc1ccnc(OCCCN)c1-c1cc(Nc2cnc(C(F)(F)F)cn2)n[nH]1.
What is the InChIKey of N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is NXKRYKBUTLHUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O2/c1-28-11-3-5-22-16(29-6-2-4-21)15(11)10-7-13(27-26-10)25-14-9-23-12(8-24-14)17(18,19)20/h3,5,7-9H,2,4,6,21H2,1H3,(H2,24,25,26,27).
What are the key properties of N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 409.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-aminopropoxy)-4-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 163407442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).