4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine

C28H31N5O3 — CID 58164148

IUPAC4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OC4CCN(C)CC4)c3C1)CO2
InChIInChI=1S/C28H31N5O3/c1-33-9-6-20(7-10-33)36-27-14-17(23-5-8-30-28(29)32-23)13-25-22(27)15-24(31-25)19-11-18-12-21(34-2)3-4-26(18)35-16-19/h3-5,8,12-14,19-20H,6-7,9-11,15-16H2,1-2H3,(H2,29,30,32)
InChIKeyAJAHIRQCCZQBAP-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.09
Rot. Bonds5

About 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine

4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine (PubChem CID 58164148) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine
PubChem CID58164148
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OC4CCN(C)CC4)c3C1)CO2
InChIInChI=1S/C28H31N5O3/c1-33-9-6-20(7-10-33)36-27-14-17(23-5-8-30-28(29)32-23)13-25-22(27)15-24(31-25)19-11-18-12-21(34-2)3-4-26(18)35-16-19/h3-5,8,12-14,19-20H,6-7,9-11,15-16H2,1-2H3,(H2,29,30,32)
InChIKeyAJAHIRQCCZQBAP-UHFFFAOYSA-N
XLogP4.09
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-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 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine (CID 58164148) is 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine is COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OC4CCN(C)CC4)c3C1)CO2.
What is the InChIKey of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine?
The InChIKey is AJAHIRQCCZQBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-33-9-6-20(7-10-33)36-27-14-17(23-5-8-30-28(29)32-23)13-25-22(27)15-24(31-25)19-11-18-12-21(34-2)3-4-26(18)35-16-19/h3-5,8,12-14,19-20H,6-7,9-11,15-16H2,1-2H3,(H2,29,30,32).
What are the key properties of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine?
4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine has a molecular weight of 485.59 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1-methylpiperidin-4-yl)oxy-3H-indol-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 58164148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).