2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol

C22H27N5O — CID 134439625

IUPAC2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol
SMILESCc1cccc(C2NN3C(=C2c2ccnc(NCCO)c2)C2CCC3CC2)n1
InChIInChI=1S/C22H27N5O/c1-14-3-2-4-18(25-14)21-20(16-9-10-23-19(13-16)24-11-12-28)22-15-5-7-17(8-6-15)27(22)26-21/h2-4,9-10,13,15,17,21,26,28H,5-8,11-12H2,1H3,(H,23,24)
InChIKeyFIHHBTIXEVLTRZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.03
Rot. Bonds5

About 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol

2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol (PubChem CID 134439625) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol
PubChem CID134439625
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol
SMILESCc1cccc(C2NN3C(=C2c2ccnc(NCCO)c2)C2CCC3CC2)n1
InChIInChI=1S/C22H27N5O/c1-14-3-2-4-18(25-14)21-20(16-9-10-23-19(13-16)24-11-12-28)22-15-5-7-17(8-6-15)27(22)26-21/h2-4,9-10,13,15,17,21,26,28H,5-8,11-12H2,1H3,(H,23,24)
InChIKeyFIHHBTIXEVLTRZ-UHFFFAOYSA-N
XLogP3.03
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]-2-pyridinyl]amino]ethanol
CID 134439562
(2S)-3-[[4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propane-1,2-diol
CID 134439613
2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol
CID 85472976
(2S)-1-[[4-[(1R)-4-(6-methyl-2-pyridinyl)-3,6-diazatricyclo[6.2.1.02,6]undeca-2,4-dien-5-yl]-2-pyridinyl]amino]propan-2-ol
CID 146389765
2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
CID 165397105
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 19689540
2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
CID 144832012
N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411865
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol
CID 134439804

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol (CID 134439625) is 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol is Cc1cccc(C2NN3C(=C2c2ccnc(NCCO)c2)C2CCC3CC2)n1.
What is the InChIKey of 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is FIHHBTIXEVLTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-3-2-4-18(25-14)21-20(16-9-10-23-19(13-16)24-11-12-28)22-15-5-7-17(8-6-15)27(22)26-21/h2-4,9-10,13,15,17,21,26,28H,5-8,11-12H2,1H3,(H,23,24).
What are the key properties of 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol?
2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 377.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undec-5-en-5-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 134439625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).