1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol

C23H27N5O2 — CID 90182166

IUPAC1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol
SMILESCc1ncc(-c2cn(C)nc2C(C)O)c(OC[C@@H]2C[C@H]2c2ccc3c(n2)CCC3)n1
InChIInChI=1S/C23H27N5O2/c1-13(29)22-19(11-28(3)27-22)18-10-24-14(2)25-23(18)30-12-16-9-17(16)21-8-7-15-5-4-6-20(15)26-21/h7-8,10-11,13,16-17,29H,4-6,9,12H2,1-3H3/t13?,16-,17+/m0/s1
InChIKeyAKELEHXXIQFOQF-ZMKYACIDSA-N
MW405.50 g/mol
LogP3.31
Rot. Bonds6

About 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol

1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol (PubChem CID 90182166) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol
PubChem CID90182166
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol
SMILESCc1ncc(-c2cn(C)nc2C(C)O)c(OC[C@@H]2C[C@H]2c2ccc3c(n2)CCC3)n1
InChIInChI=1S/C23H27N5O2/c1-13(29)22-19(11-28(3)27-22)18-10-24-14(2)25-23(18)30-12-16-9-17(16)21-8-7-15-5-4-6-20(15)26-21/h7-8,10-11,13,16-17,29H,4-6,9,12H2,1-3H3/t13?,16-,17+/m0/s1
InChIKeyAKELEHXXIQFOQF-ZMKYACIDSA-N
XLogP3.31
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol?
The IUPAC name of 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol (CID 90182166) is 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol?
The canonical SMILES for 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol is Cc1ncc(-c2cn(C)nc2C(C)O)c(OC[C@@H]2C[C@H]2c2ccc3c(n2)CCC3)n1.
What is the InChIKey of 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol?
The InChIKey is AKELEHXXIQFOQF-ZMKYACIDSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-13(29)22-19(11-28(3)27-22)18-10-24-14(2)25-23(18)30-12-16-9-17(16)21-8-7-15-5-4-6-20(15)26-21/h7-8,10-11,13,16-17,29H,4-6,9,12H2,1-3H3/t13?,16-,17+/m0/s1.
What are the key properties of 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol?
1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol has a molecular weight of 405.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyrazol-3-yl]ethanol is sourced from PubChem (CID 90182166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).