N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

C22H20N6O2 — CID 118010989

IUPACN-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5[nH]ncc5c4)n1)COC3)C2
InChIInChI=1S/C22H20N6O2/c1-29-17-4-2-13-9-28(10-15(13)7-17)22-25-20-12-30-11-18(20)21(26-22)24-16-3-5-19-14(6-16)8-23-27-19/h2-8H,9-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyWYHSQTHRNOGOMH-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.66
Rot. Bonds4

About N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (PubChem CID 118010989) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
PubChem CID118010989
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5[nH]ncc5c4)n1)COC3)C2
InChIInChI=1S/C22H20N6O2/c1-29-17-4-2-13-9-28(10-15(13)7-17)22-25-20-12-30-11-18(20)21(26-22)24-16-3-5-19-14(6-16)8-23-27-19/h2-8H,9-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyWYHSQTHRNOGOMH-UHFFFAOYSA-N
XLogP3.66
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (CID 118010989) is N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is COc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5[nH]ncc5c4)n1)COC3)C2.
What is the InChIKey of N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The InChIKey is WYHSQTHRNOGOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-29-17-4-2-13-9-28(10-15(13)7-17)22-25-20-12-30-11-18(20)21(26-22)24-16-3-5-19-14(6-16)8-23-27-19/h2-8H,9-12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine has a molecular weight of 400.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118010989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).