2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol

C16H25N5O — CID 110913013

IUPAC2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1cn2c(n1)CCC(NCc1c(C)nn(CCO)c1C)C2
InChIInChI=1S/C16H25N5O/c1-11-9-20-10-14(4-5-16(20)18-11)17-8-15-12(2)19-21(6-7-22)13(15)3/h9,14,17,22H,4-8,10H2,1-3H3
InChIKeyXOPJMYITSFXBKI-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.10
Rot. Bonds5

About 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 110913013) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID110913013
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1cn2c(n1)CCC(NCc1c(C)nn(CCO)c1C)C2
InChIInChI=1S/C16H25N5O/c1-11-9-20-10-14(4-5-16(20)18-11)17-8-15-12(2)19-21(6-7-22)13(15)3/h9,14,17,22H,4-8,10H2,1-3H3
InChIKeyXOPJMYITSFXBKI-UHFFFAOYSA-N
XLogP1.10
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol (CID 110913013) is 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol is Cc1cn2c(n1)CCC(NCc1c(C)nn(CCO)c1C)C2.
What is the InChIKey of 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is XOPJMYITSFXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-9-20-10-14(4-5-16(20)18-11)17-8-15-12(2)19-21(6-7-22)13(15)3/h9,14,17,22H,4-8,10H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 303.41 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110913013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).