N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine

C23H17ClN6 — CID 66804786

IUPACN-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine
SMILESCc1cc(Cl)ccc1-c1cc(-c2cccnc2)nc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C23H17ClN6/c1-14-11-16(24)8-9-17(14)21-12-20(15-5-4-10-25-13-15)26-23(27-21)28-22-18-6-2-3-7-19(18)29-30-22/h2-13H,1H3,(H2,26,27,28,29,30)
InChIKeyBIXDEKUYDVUPQX-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.79
Rot. Bonds4

About N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine

N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine (PubChem CID 66804786) has the molecular formula C23H17ClN6 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine
PubChem CID66804786
Molecular FormulaC23H17ClN6
Molecular Weight412.88 g/mol
Exact Mass412.12
IUPAC NameN-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine
SMILESCc1cc(Cl)ccc1-c1cc(-c2cccnc2)nc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C23H17ClN6/c1-14-11-16(24)8-9-17(14)21-12-20(15-5-4-10-25-13-15)26-23(27-21)28-22-18-6-2-3-7-19(18)29-30-22/h2-13H,1H3,(H2,26,27,28,29,30)
InChIKeyBIXDEKUYDVUPQX-UHFFFAOYSA-N
XLogP5.79
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine
CID 66804783
N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 134095406
N-[4-(2-chloro-4-ethylphenyl)-6-piperidin-1-ylpyrimidin-2-yl]-1H-indazol-3-amine
CID 21062572
4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine
CID 66804771
N-(2-methylphenyl)-1H-indazol-3-amine
CID 59097627
2,5-dichloro-N-(1H-indazol-3-yl)benzamide
CID 60729962
7-chloro-2-phenyl-4-pyridin-3-ylquinoline
CID 162750948
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-pyridin-3-ylnaphthalen-1-yl)naphthalen-1-yl]pyrimidine
CID 165168509
5-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 82883228
N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine
CID 161053692
6-chloro-N-(3,5-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180045

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The IUPAC name of N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine (CID 66804786) is N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine is Cc1cc(Cl)ccc1-c1cc(-c2cccnc2)nc(Nc2n[nH]c3ccccc23)n1.
What is the InChIKey of N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The InChIKey is BIXDEKUYDVUPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6/c1-14-11-16(24)8-9-17(14)21-12-20(15-5-4-10-25-13-15)26-23(27-21)28-22-18-6-2-3-7-19(18)29-30-22/h2-13H,1H3,(H2,26,27,28,29,30).
What are the key properties of N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine?
N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine has a molecular weight of 412.88 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-2-methylphenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine is sourced from PubChem (CID 66804786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).