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

C28H29ClFN5O2 — CID 135298110

IUPACN-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
SMILESCc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CNC4CCOCC4)nc3)c2c1
InChIInChI=1S/C28H29ClFN5O2/c1-17-13-31-16-24(29)27(17)18(2)37-22-5-6-26-23(12-22)28(35-34-26)25(30)11-19-3-4-21(32-14-19)15-33-20-7-9-36-10-8-20/h3-6,11-14,16,18,20,33H,7-10,15H2,1-2H3,(H,34,35)/b25-11-
InChIKeyFSRVOVGXENMOKW-GATIEOLUSA-N
MW522.02 g/mol
LogP6.19
Rot. Bonds8

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

N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine (PubChem CID 135298110) has the molecular formula C28H29ClFN5O2 and a molecular weight of 522.02 g/mol. Its IUPAC name is N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
PubChem CID135298110
Molecular FormulaC28H29ClFN5O2
Molecular Weight522.02 g/mol
Exact Mass521.20
IUPAC NameN-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
SMILESCc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CNC4CCOCC4)nc3)c2c1
InChIInChI=1S/C28H29ClFN5O2/c1-17-13-31-16-24(29)27(17)18(2)37-22-5-6-26-23(12-22)28(35-34-26)25(30)11-19-3-4-21(32-14-19)15-33-20-7-9-36-10-8-20/h3-6,11-14,16,18,20,33H,7-10,15H2,1-2H3,(H,34,35)/b25-11-
InChIKeyFSRVOVGXENMOKW-GATIEOLUSA-N
XLogP6.19
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.02
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine?
The IUPAC name of N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine (CID 135298110) is N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine is Cc1cncc(Cl)c1C(C)Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CNC4CCOCC4)nc3)c2c1.
What is the InChIKey of N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine?
The InChIKey is FSRVOVGXENMOKW-GATIEOLUSA-N. The full InChI is InChI=1S/C28H29ClFN5O2/c1-17-13-31-16-24(29)27(17)18(2)37-22-5-6-26-23(12-22)28(35-34-26)25(30)11-19-3-4-21(32-14-19)15-33-20-7-9-36-10-8-20/h3-6,11-14,16,18,20,33H,7-10,15H2,1-2H3,(H,34,35)/b25-11-.
What are the key properties of N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine?
N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine has a molecular weight of 522.02 g/mol, XLogP of 6.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine is sourced from PubChem (CID 135298110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).