4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine

C27H29N5O3 — CID 58164215

IUPAC4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OC4CCNCC4)c3C1)CO2
InChIInChI=1S/C27H29N5O3/c1-33-20-2-3-25-17(11-20)10-18(15-34-25)23-14-21-24(31-23)12-16(22-6-9-30-27(28)32-22)13-26(21)35-19-4-7-29-8-5-19/h2-3,6,9,11-13,18-19,29H,4-5,7-8,10,14-15H2,1H3,(H2,28,30,32)
InChIKeySPNQJBZWVFEAKO-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.75
Rot. Bonds5

About 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine

4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine (PubChem CID 58164215) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine
PubChem CID58164215
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OC4CCNCC4)c3C1)CO2
InChIInChI=1S/C27H29N5O3/c1-33-20-2-3-25-17(11-20)10-18(15-34-25)23-14-21-24(31-23)12-16(22-6-9-30-27(28)32-22)13-26(21)35-19-4-7-29-8-5-19/h2-3,6,9,11-13,18-19,29H,4-5,7-8,10,14-15H2,1H3,(H2,28,30,32)
InChIKeySPNQJBZWVFEAKO-UHFFFAOYSA-N
XLogP3.75
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine (CID 58164215) is 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-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-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine is COc1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)cc(OC4CCNCC4)c3C1)CO2.
What is the InChIKey of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine?
The InChIKey is SPNQJBZWVFEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-33-20-2-3-25-17(11-20)10-18(15-34-25)23-14-21-24(31-23)12-16(22-6-9-30-27(28)32-22)13-26(21)35-19-4-7-29-8-5-19/h2-3,6,9,11-13,18-19,29H,4-5,7-8,10,14-15H2,1H3,(H2,28,30,32).
What are the key properties of 4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine?
4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine has a molecular weight of 471.56 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 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-piperidin-4-yloxy-3H-indol-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 58164215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).