(1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol

C18H18N4O — CID 97228479

IUPAC(1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol
SMILESO[C@@H](CN(c1ccc2nccnc2n1)C1CC1)c1ccccc1
InChIInChI=1S/C18H18N4O/c23-16(13-4-2-1-3-5-13)12-22(14-6-7-14)17-9-8-15-18(21-17)20-11-10-19-15/h1-5,8-11,14,16,23H,6-7,12H2/t16-/m0/s1
InChIKeySLDNSYVZDIESAC-INIZCTEOSA-N
MW306.37 g/mol
LogP2.73
Rot. Bonds5

About (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol

(1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol (PubChem CID 97228479) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol
PubChem CID97228479
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol
SMILESO[C@@H](CN(c1ccc2nccnc2n1)C1CC1)c1ccccc1
InChIInChI=1S/C18H18N4O/c23-16(13-4-2-1-3-5-13)12-22(14-6-7-14)17-9-8-15-18(21-17)20-11-10-19-15/h1-5,8-11,14,16,23H,6-7,12H2/t16-/m0/s1
InChIKeySLDNSYVZDIESAC-INIZCTEOSA-N
XLogP2.73
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(5-nitro-2-pyridinyl)amino]-1-phenylethanol
CID 75381956
2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile
CID 97228477
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
(1S)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859470
(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859471
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554
5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide
CID 97237339
1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea
CID 96526448

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol (CID 97228479) is (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol is O[C@@H](CN(c1ccc2nccnc2n1)C1CC1)c1ccccc1.
What is the InChIKey of (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol?
The InChIKey is SLDNSYVZDIESAC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N4O/c23-16(13-4-2-1-3-5-13)12-22(14-6-7-14)17-9-8-15-18(21-17)20-11-10-19-15/h1-5,8-11,14,16,23H,6-7,12H2/t16-/m0/s1.
What are the key properties of (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol?
(1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol has a molecular weight of 306.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[cyclopropyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylethanol is sourced from PubChem (CID 97228479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).