N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C24H24N6O — CID 147787453

IUPACN-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5c(c4)C=NC5)n1)CCNC3)C2
InChIInChI=1S/C24H24N6O/c1-31-20-5-3-16-13-30(14-18(16)9-20)24-28-22-12-25-7-6-21(22)23(29-24)27-19-4-2-15-10-26-11-17(15)8-19/h2-5,8-9,11,25H,6-7,10,12-14H2,1H3,(H,27,28,29)
InChIKeyHIYWHAMUMYUQGH-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.33
Rot. Bonds4

About N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 147787453) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID147787453
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5c(c4)C=NC5)n1)CCNC3)C2
InChIInChI=1S/C24H24N6O/c1-31-20-5-3-16-13-30(14-18(16)9-20)24-28-22-12-25-7-6-21(22)23(29-24)27-19-4-2-15-10-26-11-17(15)8-19/h2-5,8-9,11,25H,6-7,10,12-14H2,1H3,(H,27,28,29)
InChIKeyHIYWHAMUMYUQGH-UHFFFAOYSA-N
XLogP3.33
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 147787453) is N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is COc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5c(c4)C=NC5)n1)CCNC3)C2.
What is the InChIKey of N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is HIYWHAMUMYUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-31-20-5-3-16-13-30(14-18(16)9-20)24-28-22-12-25-7-6-21(22)23(29-24)27-19-4-2-15-10-26-11-17(15)8-19/h2-5,8-9,11,25H,6-7,10,12-14H2,1H3,(H,27,28,29).
What are the key properties of N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 412.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-isoindol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 147787453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).