5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine

C32H37ClFN5O — CID 145256610

IUPAC5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(NC4CCCCCCCCC4)nc3)c2c1
InChIInChI=1S/C32H37ClFN5O/c1-21-18-35-20-27(33)32(21)22(2)40-25-13-14-29-26(16-25)30(39-38-29)17-28(34)23-12-15-31(36-19-23)37-24-10-8-6-4-3-5-7-9-11-24/h12-20,22,24H,3-11H2,1-2H3,(H,36,37)(H,38,39)/b28-17-/t22-/m1/s1
InChIKeyRQJMVUWGURRAEA-HBZQPJQTSA-N
MW562.13 g/mol
LogP9.23
Rot. Bonds7

About 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine

5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine (PubChem CID 145256610) has the molecular formula C32H37ClFN5O and a molecular weight of 562.13 g/mol. Its IUPAC name is 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine.

Molecular Properties

Compound Name5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine
PubChem CID145256610
Molecular FormulaC32H37ClFN5O
Molecular Weight562.13 g/mol
Exact Mass561.27
IUPAC Name5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(NC4CCCCCCCCC4)nc3)c2c1
InChIInChI=1S/C32H37ClFN5O/c1-21-18-35-20-27(33)32(21)22(2)40-25-13-14-29-26(16-25)30(39-38-29)17-28(34)23-12-15-31(36-19-23)37-24-10-8-6-4-3-5-7-9-11-24/h12-20,22,24H,3-11H2,1-2H3,(H,36,37)(H,38,39)/b28-17-/t22-/m1/s1
InChIKeyRQJMVUWGURRAEA-HBZQPJQTSA-N
XLogP9.23
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.13
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 136211077
N-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 137133106
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 137133115
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 137133116
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(1-methylpiperidin-4-yl)-1H-benzimidazole
CID 137133138
Dabogratinib
CID 170647464
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
6-(3-chloropyridin-2-yloxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 45483616
6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 46239835

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine?
The IUPAC name of 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine (CID 145256610) is 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine.
What is the SMILES notation for 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine?
The canonical SMILES for 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine is Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(NC4CCCCCCCCC4)nc3)c2c1.
What is the InChIKey of 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine?
The InChIKey is RQJMVUWGURRAEA-HBZQPJQTSA-N. The full InChI is InChI=1S/C32H37ClFN5O/c1-21-18-35-20-27(33)32(21)22(2)40-25-13-14-29-26(16-25)30(39-38-29)17-28(34)23-12-15-31(36-19-23)37-24-10-8-6-4-3-5-7-9-11-24/h12-20,22,24H,3-11H2,1-2H3,(H,36,37)(H,38,39)/b28-17-/t22-/m1/s1.
What are the key properties of 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine?
5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine has a molecular weight of 562.13 g/mol, XLogP of 9.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-cyclodecylpyridin-2-amine is sourced from PubChem (CID 145256610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).