2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol

C18H25N3O2 — CID 141403052

IUPAC2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol
SMILESCO[C@@H]1CC[C@H](N2C=C(c3ccc(C(C)(C)O)nc3)N=CC2)C1
InChIInChI=1S/C18H25N3O2/c1-18(2,22)17-7-4-13(11-20-17)16-12-21(9-8-19-16)14-5-6-15(10-14)23-3/h4,7-8,11-12,14-15,22H,5-6,9-10H2,1-3H3/t14-,15+/m0/s1
InChIKeyDJVNHMZKMYFPES-LSDHHAIUSA-N
MW315.42 g/mol
LogP2.56
Rot. Bonds4

About 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol

2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol (PubChem CID 141403052) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol
PubChem CID141403052
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol
SMILESCO[C@@H]1CC[C@H](N2C=C(c3ccc(C(C)(C)O)nc3)N=CC2)C1
InChIInChI=1S/C18H25N3O2/c1-18(2,22)17-7-4-13(11-20-17)16-12-21(9-8-19-16)14-5-6-15(10-14)23-3/h4,7-8,11-12,14-15,22H,5-6,9-10H2,1-3H3/t14-,15+/m0/s1
InChIKeyDJVNHMZKMYFPES-LSDHHAIUSA-N
XLogP2.56
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453063
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 162162454
2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol
CID 152621035
6-fluoro-3-(3-methoxycyclopentyl)-1H-benzimidazole-2-thione
CID 114118163
5-[2-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]-2-(trifluoromethyl)pyridine
CID 171907820
1-(3-methoxycyclopentyl)pyrazol-4-amine
CID 118365537
3-(3-methoxycyclopentyl)-6-methyl-1H-benzimidazole-2-thione
CID 114118165
3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid
CID 114118188
2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
CID 165419000
8-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane
CID 122255625
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215382
6-chloro-3-(3-methoxycyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114118168

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol (CID 141403052) is 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol is CO[C@@H]1CC[C@H](N2C=C(c3ccc(C(C)(C)O)nc3)N=CC2)C1.
What is the InChIKey of 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is DJVNHMZKMYFPES-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,22)17-7-4-13(11-20-17)16-12-21(9-8-19-16)14-5-6-15(10-14)23-3/h4,7-8,11-12,14-15,22H,5-6,9-10H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol?
2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 141403052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).