N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine

C27H22N6 — CID 146588316

IUPACN-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc2ccc(-c3nc(Cc4ccccc4)cc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C27H22N6/c1-17-11-19-7-8-20(14-25(19)29-17)27-31-23(12-18-5-3-2-4-6-18)15-26(32-27)30-22-9-10-24-21(13-22)16-28-33-24/h2-11,13-16,29H,12H2,1H3,(H,28,33)(H,30,31,32)
InChIKeyHKTKUNKEPZJBDB-UHFFFAOYSA-N
MW430.52 g/mol
LogP6.14
Rot. Bonds5

About N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine

N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 146588316) has the molecular formula C27H22N6 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID146588316
Molecular FormulaC27H22N6
Molecular Weight430.52 g/mol
Exact Mass430.19
IUPAC NameN-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc2ccc(-c3nc(Cc4ccccc4)cc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C27H22N6/c1-17-11-19-7-8-20(14-25(19)29-17)27-31-23(12-18-5-3-2-4-6-18)15-26(32-27)30-22-9-10-24-21(13-22)16-28-33-24/h2-11,13-16,29H,12H2,1H3,(H,28,33)(H,30,31,32)
InChIKeyHKTKUNKEPZJBDB-UHFFFAOYSA-N
XLogP6.14
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-fluoro-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 166862856
6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde
CID 166920660
3-(1H-indazol-5-ylamino)-1-methyl-5-(2-methyl-1H-indol-6-yl)pyrazin-2-one
CID 167202737
N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 137387403
N-[6-[(2S)-2-amino-3-phenylpropoxy]-2-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 117072981
2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
CID 147495090
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone
CID 153252153
[6-[4-benzyl-6-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanol
CID 137387369
2-[3-[4-(1H-indazol-5-ylamino)-6-methylpyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 118334773
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2-oxazol-4-yl)ethanone
CID 153259440
N-[2-[2-[1-[(6-methylpyridazin-4-yl)amino]ethenyl]-1H-indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 167203032
N-(4-phenylbutan-2-yl)-1H-indazol-5-amine
CID 43690949

Frequently Asked Questions

What is the IUPAC name of N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 146588316) is N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine is Cc1cc2ccc(-c3nc(Cc4ccccc4)cc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.
What is the InChIKey of N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is HKTKUNKEPZJBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6/c1-17-11-19-7-8-20(14-25(19)29-17)27-31-23(12-18-5-3-2-4-6-18)15-26(32-27)30-22-9-10-24-21(13-22)16-28-33-24/h2-11,13-16,29H,12H2,1H3,(H,28,33)(H,30,31,32).
What are the key properties of N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 430.52 g/mol, XLogP of 6.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-benzyl-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 146588316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).