1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one

C25H27N5O3 — CID 138635620

IUPAC1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C25H27N5O3/c1-15-18(19-20(28-24(2)10-11-24)26-14-27-21(19)33-15)22(31)30-12-6-9-25(13-30)16-7-4-5-8-17(16)29(3)23(25)32/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,26,27,28)
InChIKeyCNXOWGJEMYDXMA-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.65
Rot. Bonds3

About 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one

1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one (PubChem CID 138635620) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one
PubChem CID138635620
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C25H27N5O3/c1-15-18(19-20(28-24(2)10-11-24)26-14-27-21(19)33-15)22(31)30-12-6-9-25(13-30)16-7-4-5-8-17(16)29(3)23(25)32/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,26,27,28)
InChIKeyCNXOWGJEMYDXMA-UHFFFAOYSA-N
XLogP3.65
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-3-phenylazetidin-1-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138636016
2,5-dihydropyrrol-1-yl-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 167697060
[(1R,5S,6R)-1-iodo-5-methyl-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 170208120
[3-(4-iodophenyl)pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138666214
[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
[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635945
[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635405
(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635454
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 170208513
[4-(2-fluorophenoxy)piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635379
[(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
[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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one (CID 138635620) is 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one?
The InChIKey is CNXOWGJEMYDXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15-18(19-20(28-24(2)10-11-24)26-14-27-21(19)33-15)22(31)30-12-6-9-25(13-30)16-7-4-5-8-17(16)29(3)23(25)32/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,26,27,28).
What are the key properties of 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one?
1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one has a molecular weight of 445.52 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]spiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 138635620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).