(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol

C24H27N5O3 — CID 118664562

IUPAC(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol
SMILESCCOc1cc(-c2cccc([C@@H](N)CCCO)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C24H27N5O3/c1-2-32-23-13-16(20-8-4-9-21(28-20)19(25)7-5-11-30)12-22-18(23)14-26-29(22)24-10-3-6-17(15-31)27-24/h3-4,6,8-10,12-14,19,30-31H,2,5,7,11,15,25H2,1H3/t19-/m0/s1
InChIKeyYFRDZQYABANXIY-IBGZPJMESA-N
MW433.51 g/mol
LogP3.15
Rot. Bonds9

About (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol

(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol (PubChem CID 118664562) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol
PubChem CID118664562
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol
SMILESCCOc1cc(-c2cccc([C@@H](N)CCCO)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C24H27N5O3/c1-2-32-23-13-16(20-8-4-9-21(28-20)19(25)7-5-11-30)12-22-18(23)14-26-29(22)24-10-3-6-17(15-31)27-24/h3-4,6,8-10,12-14,19,30-31H,2,5,7,11,15,25H2,1H3/t19-/m0/s1
InChIKeyYFRDZQYABANXIY-IBGZPJMESA-N
XLogP3.15
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol
CID 118664265
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol
CID 118663805
[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 166646236
4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol
CID 118663731
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol
CID 118663987
[6-[6-[4-[(1S)-1-aminobutyl]pyrimidin-2-yl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 118663716
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 155123690
[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol
CID 145002479
[6-[6-[6-(1-aminobutyl)-2-pyridinyl]-4-(hydroxymethyl)indazol-1-yl]-2-pyridinyl]methanol
CID 118663570
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-[iodo(methyl)amino]indazol-1-yl]-2-pyridinyl]methanol
CID 145002472
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-[(dimethylamino)methyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118664042
1-[6-[6-(1-aminobutyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-4-yl]azetidine-3-carboxylic acid
CID 118664513

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol?
The IUPAC name of (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol (CID 118664562) is (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol.
What is the SMILES notation for (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol?
The canonical SMILES for (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol is CCOc1cc(-c2cccc([C@@H](N)CCCO)n2)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol?
The InChIKey is YFRDZQYABANXIY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N5O3/c1-2-32-23-13-16(20-8-4-9-21(28-20)19(25)7-5-11-30)12-22-18(23)14-26-29(22)24-10-3-6-17(15-31)27-24/h3-4,6,8-10,12-14,19,30-31H,2,5,7,11,15,25H2,1H3/t19-/m0/s1.
What are the key properties of (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol?
(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol has a molecular weight of 433.51 g/mol, XLogP of 3.15, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol is sourced from PubChem (CID 118664562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).