N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine

C17H18F3N7O — CID 66554839

IUPACN-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
SMILESFC(F)(F)Cn1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)cn1
InChIInChI=1S/C17H18F3N7O/c18-17(19,20)10-27-9-11(6-25-27)13-5-14-15(23-2-1-22-14)16(26-13)24-8-12-7-21-3-4-28-12/h1-2,5-6,9,12,21H,3-4,7-8,10H2,(H,24,26)/t12-/m0/s1
InChIKeyDWAVVFMREMBURO-LBPRGKRZSA-N
MW393.37 g/mol
LogP1.85
Rot. Bonds5

About N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine

N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 66554839) has the molecular formula C17H18F3N7O and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID66554839
Molecular FormulaC17H18F3N7O
Molecular Weight393.37 g/mol
Exact Mass393.15
IUPAC NameN-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
SMILESFC(F)(F)Cn1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)cn1
InChIInChI=1S/C17H18F3N7O/c18-17(19,20)10-27-9-11(6-25-27)13-5-14-15(23-2-1-22-14)16(26-13)24-8-12-7-21-3-4-28-12/h1-2,5-6,9,12,21H,3-4,7-8,10H2,(H,24,26)/t12-/m0/s1
InChIKeyDWAVVFMREMBURO-LBPRGKRZSA-N
XLogP1.85
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine (CID 66554839) is N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine is FC(F)(F)Cn1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)cn1.
What is the InChIKey of N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is DWAVVFMREMBURO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18F3N7O/c18-17(19,20)10-27-9-11(6-25-27)13-5-14-15(23-2-1-22-14)16(26-13)24-8-12-7-21-3-4-28-12/h1-2,5-6,9,12,21H,3-4,7-8,10H2,(H,24,26)/t12-/m0/s1.
What are the key properties of N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine?
N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 393.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 66554839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).