1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol

C21H25N5O2 — CID 90182303

IUPAC1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
SMILESCc1cccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(C)O)n1
InChIInChI=1S/C21H25N5O2/c1-12-6-5-7-19(23-12)16-8-15(16)11-28-21-17(9-22-14(3)24-21)18-10-26(4)25-20(18)13(2)27/h5-7,9-10,13,15-16,27H,8,11H2,1-4H3/t13?,15-,16+/m1/s1
InChIKeyREEQFVBJGGGWDC-CZVYVAOFSA-N
MW379.46 g/mol
LogP3.12
Rot. Bonds6

About 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol

1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol (PubChem CID 90182303) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
PubChem CID90182303
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
SMILESCc1cccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(C)O)n1
InChIInChI=1S/C21H25N5O2/c1-12-6-5-7-19(23-12)16-8-15(16)11-28-21-17(9-22-14(3)24-21)18-10-26(4)25-20(18)13(2)27/h5-7,9-10,13,15-16,27H,8,11H2,1-4H3/t13?,15-,16+/m1/s1
InChIKeyREEQFVBJGGGWDC-CZVYVAOFSA-N
XLogP3.12
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The IUPAC name of 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol (CID 90182303) is 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The canonical SMILES for 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol is Cc1cccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)nc2C(C)O)n1.
What is the InChIKey of 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The InChIKey is REEQFVBJGGGWDC-CZVYVAOFSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12-6-5-7-19(23-12)16-8-15(16)11-28-21-17(9-22-14(3)24-21)18-10-26(4)25-20(18)13(2)27/h5-7,9-10,13,15-16,27H,8,11H2,1-4H3/t13?,15-,16+/m1/s1.
What are the key properties of 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol has a molecular weight of 379.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-[2-methyl-4-[[(1S,2S)-2-(6-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 90182303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).