N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine

C24H19N7O — CID 143429088

IUPACN-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine
SMILESC1=CCC(n2ccc3cc(Oc4ccnc(Nc5ccc6nc[nH]c6c5)n4)ccc32)N=C1
InChIInChI=1S/C24H19N7O/c1-2-10-25-22(3-1)31-12-9-16-13-18(5-7-21(16)31)32-23-8-11-26-24(30-23)29-17-4-6-19-20(14-17)28-15-27-19/h1-2,4-15,22H,3H2,(H,27,28)(H,26,29,30)
InChIKeyMSXVLRPXWSNDHA-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.37
Rot. Bonds5

About N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine

N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine (PubChem CID 143429088) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine
PubChem CID143429088
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC NameN-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine
SMILESC1=CCC(n2ccc3cc(Oc4ccnc(Nc5ccc6nc[nH]c6c5)n4)ccc32)N=C1
InChIInChI=1S/C24H19N7O/c1-2-10-25-22(3-1)31-12-9-16-13-18(5-7-21(16)31)32-23-8-11-26-24(30-23)29-17-4-6-19-20(14-17)28-15-27-19/h1-2,4-15,22H,3H2,(H,27,28)(H,26,29,30)
InChIKeyMSXVLRPXWSNDHA-UHFFFAOYSA-N
XLogP5.37
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine?
The IUPAC name of N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine (CID 143429088) is N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine?
The canonical SMILES for N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine is C1=CCC(n2ccc3cc(Oc4ccnc(Nc5ccc6nc[nH]c6c5)n4)ccc32)N=C1.
What is the InChIKey of N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine?
The InChIKey is MSXVLRPXWSNDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O/c1-2-10-25-22(3-1)31-12-9-16-13-18(5-7-21(16)31)32-23-8-11-26-24(30-23)29-17-4-6-19-20(14-17)28-15-27-19/h1-2,4-15,22H,3H2,(H,27,28)(H,26,29,30).
What are the key properties of N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine?
N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine has a molecular weight of 421.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 143429088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).