N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide

C26H23Cl2N5O2 — CID 170699477

IUPACN-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(C)C2
InChIInChI=1S/C26H23Cl2N5O2/c1-4-24(34)30-23-8-16-13-33(3)12-15(16)7-18(23)26-19-9-17(5-6-22(19)31-32-26)35-14(2)25-20(27)10-29-11-21(25)28/h4-11,14H,1,12-13H2,2-3H3,(H,30,34)(H,31,32)/t14-/m1/s1
InChIKeyNZCXHFAGQQNRLF-CQSZACIVSA-N
MW508.41 g/mol
LogP6.14
Rot. Bonds6

About N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide

N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide (PubChem CID 170699477) has the molecular formula C26H23Cl2N5O2 and a molecular weight of 508.41 g/mol. Its IUPAC name is N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide
PubChem CID170699477
Molecular FormulaC26H23Cl2N5O2
Molecular Weight508.41 g/mol
Exact Mass507.12
IUPAC NameN-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(C)C2
InChIInChI=1S/C26H23Cl2N5O2/c1-4-24(34)30-23-8-16-13-33(3)12-15(16)7-18(23)26-19-9-17(5-6-22(19)31-32-26)35-14(2)25-20(27)10-29-11-21(25)28/h4-11,14H,1,12-13H2,2-3H3,(H,30,34)(H,31,32)/t14-/m1/s1
InChIKeyNZCXHFAGQQNRLF-CQSZACIVSA-N
XLogP6.14
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.41
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide 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-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The IUPAC name of N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide (CID 170699477) is N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The canonical SMILES for N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(cc1-c1n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc13)CN(C)C2.
What is the InChIKey of N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The InChIKey is NZCXHFAGQQNRLF-CQSZACIVSA-N. The full InChI is InChI=1S/C26H23Cl2N5O2/c1-4-24(34)30-23-8-16-13-33(3)12-15(16)7-18(23)26-19-9-17(5-6-22(19)31-32-26)35-14(2)25-20(27)10-29-11-21(25)28/h4-11,14H,1,12-13H2,2-3H3,(H,30,34)(H,31,32)/t14-/m1/s1.
What are the key properties of N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide?
N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide has a molecular weight of 508.41 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-methyl-1,3-dihydroisoindol-5-yl]prop-2-enamide is sourced from PubChem (CID 170699477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).