4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C24H25N5O2 — CID 46896572

IUPAC4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1
InChIInChI=1S/C24H25N5O2/c30-19-10-8-18(9-11-19)27-24-25-13-12-20(28-24)21-15-26-23-22(7-4-14-29(21)23)31-16-17-5-2-1-3-6-17/h1-7,12-15,18-19,30H,8-11,16H2,(H,25,27,28)
InChIKeyHSKWNXWRIGSISU-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.09
Rot. Bonds6

About 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 46896572) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID46896572
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1
InChIInChI=1S/C24H25N5O2/c30-19-10-8-18(9-11-19)27-24-25-13-12-20(28-24)21-15-26-23-22(7-4-14-29(21)23)31-16-17-5-2-1-3-6-17/h1-7,12-15,18-19,30H,8-11,16H2,(H,25,27,28)
InChIKeyHSKWNXWRIGSISU-UHFFFAOYSA-N
XLogP4.09
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 46896572) is 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1.
What is the InChIKey of 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is HSKWNXWRIGSISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-19-10-8-18(9-11-19)27-24-25-13-12-20(28-24)21-15-26-23-22(7-4-14-29(21)23)31-16-17-5-2-1-3-6-17/h1-7,12-15,18-19,30H,8-11,16H2,(H,25,27,28).
What are the key properties of 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 415.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 46896572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).