2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine

C28H33FN6O3 — CID 25124700

IUPAC2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CCC(N4CCOCC4)CC3)cc2n1
InChIInChI=1S/C28H33FN6O3/c29-22-1-2-23-21(3-6-30-23)25(22)27-31-24-17-20(38-26(24)28(32-27)35-11-15-37-16-12-35)18-33-7-4-19(5-8-33)34-9-13-36-14-10-34/h1-3,6,17,19,30H,4-5,7-16,18H2
InChIKeyQRQMGCOJUIVKNU-UHFFFAOYSA-N
MW520.61 g/mol
LogP3.64
Rot. Bonds5

About 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine

2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine (PubChem CID 25124700) has the molecular formula C28H33FN6O3 and a molecular weight of 520.61 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine
PubChem CID25124700
Molecular FormulaC28H33FN6O3
Molecular Weight520.61 g/mol
Exact Mass520.26
IUPAC Name2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CCC(N4CCOCC4)CC3)cc2n1
InChIInChI=1S/C28H33FN6O3/c29-22-1-2-23-21(3-6-30-23)25(22)27-31-24-17-20(38-26(24)28(32-27)35-11-15-37-16-12-35)18-33-7-4-19(5-8-33)34-9-13-36-14-10-34/h1-3,6,17,19,30H,4-5,7-16,18H2
InChIKeyQRQMGCOJUIVKNU-UHFFFAOYSA-N
XLogP3.64
TPSA82.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

YM-201636
CID 9956222
(NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135401910
5-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)isoindolin-1-one oxime
CID 136160805
5-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)-2,3-dihydro-1h-inden-1-one
CID 16045087
2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinofuro[3,2-d]pyrimidine
CID 24992904
4-Morpholin-4-yl-2-phenyl-pyrido[3'',2'':4,5]furo[3,2-d]pyrimidine
CID 44426435
N-(7-fluoro-1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53324074
2-(2-propan-2-ylphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]furo[3,2-d]pyrimidin-4-amine
CID 60167905
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 145401999
(2S)-3-(1H-indol-3-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoic acid
CID 663984
(2-Ethylbenzofuro[3,2-d]pyrimidin-4-yl)-L-tryptophan
CID 664982
6-Morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride
CID 90664543

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine?
The IUPAC name of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine (CID 25124700) is 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine?
The canonical SMILES for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CCC(N4CCOCC4)CC3)cc2n1.
What is the InChIKey of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine?
The InChIKey is QRQMGCOJUIVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6O3/c29-22-1-2-23-21(3-6-30-23)25(22)27-31-24-17-20(38-26(24)28(32-27)35-11-15-37-16-12-35)18-33-7-4-19(5-8-33)34-9-13-36-14-10-34/h1-3,6,17,19,30H,4-5,7-16,18H2.
What are the key properties of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine?
2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine has a molecular weight of 520.61 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]furo[3,2-d]pyrimidine is sourced from PubChem (CID 25124700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).