[6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol

C23H23N5O — CID 118664149

IUPAC[6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCC1(N)CCCc2ccc(-c3ccc4cnn(-c5cccc(CO)n5)c4c3)nc21
InChIInChI=1S/C23H23N5O/c1-23(24)11-3-4-15-9-10-19(27-22(15)23)16-7-8-17-13-25-28(20(17)12-16)21-6-2-5-18(14-29)26-21/h2,5-10,12-13,29H,3-4,11,14,24H2,1H3
InChIKeyGTFDDSCTAKVBOE-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.48
Rot. Bonds3

About [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664149) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664149
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name[6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCC1(N)CCCc2ccc(-c3ccc4cnn(-c5cccc(CO)n5)c4c3)nc21
InChIInChI=1S/C23H23N5O/c1-23(24)11-3-4-15-9-10-19(27-22(15)23)16-7-8-17-13-25-28(20(17)12-16)21-6-2-5-18(14-29)26-21/h2,5-10,12-13,29H,3-4,11,14,24H2,1H3
InChIKeyGTFDDSCTAKVBOE-UHFFFAOYSA-N
XLogP3.48
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol (CID 118664149) is [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol is CC1(N)CCCc2ccc(-c3ccc4cnn(-c5cccc(CO)n5)c4c3)nc21.
What is the InChIKey of [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is GTFDDSCTAKVBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-23(24)11-3-4-15-9-10-19(27-22(15)23)16-7-8-17-13-25-28(20(17)12-16)21-6-2-5-18(14-29)26-21/h2,5-10,12-13,29H,3-4,11,14,24H2,1H3.
What are the key properties of [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 385.47 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(8-amino-8-methyl-6,7-dihydro-5H-quinolin-2-yl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).