N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine

C28H19N7 — CID 137387403

IUPACN-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESc1ccc2cc(-c3cc4ccc(-c5nccc(Nc6ccc7[nH]ncc7c6)n5)cc4[nH]3)ncc2c1
InChIInChI=1S/C28H19N7/c1-2-4-20-15-30-25(12-17(20)3-1)26-13-18-5-6-19(14-24(18)33-26)28-29-10-9-27(34-28)32-22-7-8-23-21(11-22)16-31-35-23/h1-16,33H,(H,31,35)(H,29,32,34)
InChIKeyMUKYIIPIPIIUMA-UHFFFAOYSA-N
MW453.51 g/mol
LogP6.46
Rot. Bonds4

About N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine

N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 137387403) has the molecular formula C28H19N7 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID137387403
Molecular FormulaC28H19N7
Molecular Weight453.51 g/mol
Exact Mass453.17
IUPAC NameN-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESc1ccc2cc(-c3cc4ccc(-c5nccc(Nc6ccc7[nH]ncc7c6)n5)cc4[nH]3)ncc2c1
InChIInChI=1S/C28H19N7/c1-2-4-20-15-30-25(12-17(20)3-1)26-13-18-5-6-19(14-24(18)33-26)28-29-10-9-27(34-28)32-22-7-8-23-21(11-22)16-31-35-23/h1-16,33H,(H,31,35)(H,29,32,34)
InChIKeyMUKYIIPIPIIUMA-UHFFFAOYSA-N
XLogP6.46
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-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-(3-chloropyridazin-4-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137369649
N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine
CID 137387374
2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
CID 147495090
(1E,3Z)-2-N-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]methyl]buta-1,3-diene-1,2,4-triamine
CID 137382051
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone
CID 153252153
N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 90095924
N-[2-[2-[1-[(6-methylpyridazin-4-yl)amino]ethenyl]-1H-indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 167203032
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2-oxazol-4-yl)ethanone
CID 153259440
N-[(1E,3Z)-1,4-diaminopenta-1,3-dien-2-yl]-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 166862949
2-[2-(1-methylpyrazol-4-yl)-1H-indol-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 137387808
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137382052
2-(2-pyrazol-1-yl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 137387442

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 137387403) is N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine is c1ccc2cc(-c3cc4ccc(-c5nccc(Nc6ccc7[nH]ncc7c6)n5)cc4[nH]3)ncc2c1.
What is the InChIKey of N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is MUKYIIPIPIIUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N7/c1-2-4-20-15-30-25(12-17(20)3-1)26-13-18-5-6-19(14-24(18)33-26)28-29-10-9-27(34-28)32-22-7-8-23-21(11-22)16-31-35-23/h1-16,33H,(H,31,35)(H,29,32,34).
What are the key properties of N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 453.51 g/mol, XLogP of 6.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 137387403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).