[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

C23H25FN4O3 — CID 138635405

IUPAC[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ccc(OCF)cc2)C1
InChIInChI=1S/C23H25FN4O3/c1-14-18(19-20(27-23(2)8-9-23)25-13-26-21(19)31-14)22(29)28-10-7-16(11-28)15-3-5-17(6-4-15)30-12-24/h3-6,13,16H,7-12H2,1-2H3,(H,25,26,27)
InChIKeyASRFNVNJKRFDJW-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.43
Rot. Bonds6

About [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 138635405) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID138635405
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ccc(OCF)cc2)C1
InChIInChI=1S/C23H25FN4O3/c1-14-18(19-20(27-23(2)8-9-23)25-13-26-21(19)31-14)22(29)28-10-7-16(11-28)15-3-5-17(6-4-15)30-12-24/h3-6,13,16H,7-12H2,1-2H3,(H,25,26,27)
InChIKeyASRFNVNJKRFDJW-UHFFFAOYSA-N
XLogP4.43
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-iodophenyl)pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138666214
[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635250
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 170208513
[6-(fluoromethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635798
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 138665661
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone
CID 138635633
[4-(2-fluorophenoxy)piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635379
2,5-dihydropyrrol-1-yl-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 167697060
[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635945
[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635656
(3-fluoro-3-phenylazetidin-1-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138636016
[4-(5-iodopyrimidin-2-yl)-3-methylpiperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 170208583

Frequently Asked Questions

What is the IUPAC name of [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (CID 138635405) is [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ccc(OCF)cc2)C1.
What is the InChIKey of [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is ASRFNVNJKRFDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-14-18(19-20(27-23(2)8-9-23)25-13-26-21(19)31-14)22(29)28-10-7-16(11-28)15-3-5-17(6-4-15)30-12-24/h3-6,13,16H,7-12H2,1-2H3,(H,25,26,27).
What are the key properties of [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 424.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 138635405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).