N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine

C20H16ClFN6 — CID 142128261

IUPACN-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
SMILESCc1nc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1/C=C\N
InChIInChI=1S/C20H16ClFN6/c1-11-13(8-9-23)18(25-19(24-11)14-4-2-3-5-16(14)21)26-20-15-10-12(22)6-7-17(15)27-28-20/h2-10H,23H2,1H3,(H2,24,25,26,27,28)/b9-8-
InChIKeyACPCALLNNCUYHA-HJWRWDBZSA-N
MW394.84 g/mol
LogP4.79
Rot. Bonds4

About N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine

N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine (PubChem CID 142128261) has the molecular formula C20H16ClFN6 and a molecular weight of 394.84 g/mol. Its IUPAC name is N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
PubChem CID142128261
Molecular FormulaC20H16ClFN6
Molecular Weight394.84 g/mol
Exact Mass394.11
IUPAC NameN-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
SMILESCc1nc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1/C=C\N
InChIInChI=1S/C20H16ClFN6/c1-11-13(8-9-23)18(25-19(24-11)14-4-2-3-5-16(14)21)26-20-15-10-12(22)6-7-17(15)27-28-20/h2-10H,23H2,1H3,(H2,24,25,26,27,28)/b9-8-
InChIKeyACPCALLNNCUYHA-HJWRWDBZSA-N
XLogP4.79
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-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

N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine
CID 10270349
2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 59085501
N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 10224094
2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59212894
2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59085496
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157337387
2-(2-chlorophenyl)-7-fluoro-4-methylquinazoline
CID 141298320
2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
CID 64981421
N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 20626456
3-[[2-(2-chlorophenyl)-5-methyl-6-(sulfinoamino)pyrimidin-4-yl]amino]-1H-indazole
CID 66804943
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 158464061
N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
CID 87388058

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine (CID 142128261) is N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine is Cc1nc(-c2ccccc2Cl)nc(Nc2n[nH]c3ccc(F)cc23)c1/C=C\N.
What is the InChIKey of N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?
The InChIKey is ACPCALLNNCUYHA-HJWRWDBZSA-N. The full InChI is InChI=1S/C20H16ClFN6/c1-11-13(8-9-23)18(25-19(24-11)14-4-2-3-5-16(14)21)26-20-15-10-12(22)6-7-17(15)27-28-20/h2-10H,23H2,1H3,(H2,24,25,26,27,28)/b9-8-.
What are the key properties of N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine?
N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 394.84 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-aminoethenyl]-2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 142128261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).