N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine

C25H23N5 — CID 164998681

IUPACN-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine
SMILESCC(C)(C)C1=Cc2cc(Nc3nc(-c4ccncc4)nc4ccncc34)ccc2C1
InChIInChI=1S/C25H23N5/c1-25(2,3)19-12-17-4-5-20(14-18(17)13-19)28-24-21-15-27-11-8-22(21)29-23(30-24)16-6-9-26-10-7-16/h4-11,13-15H,12H2,1-3H3,(H,28,29,30)
InChIKeyHXMXDHWVGUSXQB-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.82
Rot. Bonds3

About N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine

N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 164998681) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID164998681
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC NameN-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine
SMILESCC(C)(C)C1=Cc2cc(Nc3nc(-c4ccncc4)nc4ccncc34)ccc2C1
InChIInChI=1S/C25H23N5/c1-25(2,3)19-12-17-4-5-20(14-18(17)13-19)28-24-21-15-27-11-8-22(21)29-23(30-24)16-6-9-26-10-7-16/h4-11,13-15H,12H2,1-3H3,(H,28,29,30)
InChIKeyHXMXDHWVGUSXQB-UHFFFAOYSA-N
XLogP5.82
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine (CID 164998681) is N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine is CC(C)(C)C1=Cc2cc(Nc3nc(-c4ccncc4)nc4ccncc34)ccc2C1.
What is the InChIKey of N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is HXMXDHWVGUSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-25(2,3)19-12-17-4-5-20(14-18(17)13-19)28-24-21-15-27-11-8-22(21)29-23(30-24)16-6-9-26-10-7-16/h4-11,13-15H,12H2,1-3H3,(H,28,29,30).
What are the key properties of N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine?
N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 393.49 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164998681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).