1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one

C27H27N5O3 — CID 160702980

IUPAC1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one
SMILESO=C(Cc1cccc(-c2nc3c(c(Nc4ccc5c(c4)C=NC5)n2)COC3)c1)CN1CCOCC1
InChIInChI=1S/C27H27N5O3/c33-23(15-32-6-8-34-9-7-32)11-18-2-1-3-19(10-18)26-30-25-17-35-16-24(25)27(31-26)29-22-5-4-20-13-28-14-21(20)12-22/h1-5,10,12,14H,6-9,11,13,15-17H2,(H,29,30,31)
InChIKeyRQWAQZRPDLATJT-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.29
Rot. Bonds7

About 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one

1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one (PubChem CID 160702980) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one
PubChem CID160702980
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one
SMILESO=C(Cc1cccc(-c2nc3c(c(Nc4ccc5c(c4)C=NC5)n2)COC3)c1)CN1CCOCC1
InChIInChI=1S/C27H27N5O3/c33-23(15-32-6-8-34-9-7-32)11-18-2-1-3-19(10-18)26-30-25-17-35-16-24(25)27(31-26)29-22-5-4-20-13-28-14-21(20)12-22/h1-5,10,12,14H,6-9,11,13,15-17H2,(H,29,30,31)
InChIKeyRQWAQZRPDLATJT-UHFFFAOYSA-N
XLogP3.29
TPSA88.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one with MolForge

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Related Compounds

2-[4-[(2-phenyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 71624959
2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 159168511
1-(3,4-dichlorophenyl)-3-morpholin-4-ylpropan-2-one
CID 67707252
4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
CID 164969444
1-morpholin-4-yl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-one
CID 158521413
N-[3-[6-(cyclopropylmethoxy)-4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenyl]butanamide
CID 157346786
N-[4-(3-morpholin-4-yl-2-oxopropyl)phenyl]methanesulfonamide
CID 67707285
N-[3-[6-[(1R)-2-butylcyclopropyl]-4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 66828704
4-[2-(3-chloro-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl)ethyl]morpholine;N-(1H-isoindol-5-yl)-11-(2-morpholin-4-ylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 160921786
2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 59361906
2-[3-[4-(4-pyrazolidin-4-ylanilino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 155883610

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one?
The IUPAC name of 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one (CID 160702980) is 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one.
What is the SMILES notation for 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one?
The canonical SMILES for 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one is O=C(Cc1cccc(-c2nc3c(c(Nc4ccc5c(c4)C=NC5)n2)COC3)c1)CN1CCOCC1.
What is the InChIKey of 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one?
The InChIKey is RQWAQZRPDLATJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c33-23(15-32-6-8-34-9-7-32)11-18-2-1-3-19(10-18)26-30-25-17-35-16-24(25)27(31-26)29-22-5-4-20-13-28-14-21(20)12-22/h1-5,10,12,14H,6-9,11,13,15-17H2,(H,29,30,31).
What are the key properties of 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one?
1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one has a molecular weight of 469.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1H-isoindol-5-ylamino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenyl]-3-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 160702980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).