7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C32H34N6O6 — CID 153289434

IUPAC7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc(-c2coc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C32H34N6O6/c1-36(2)31(40)25-14-20-17-33-32(35-30(20)38(25)22-6-4-5-7-22)34-21-12-19(13-23(15-21)41-3)24-18-43-29-26(39)16-27(44-28(24)29)37-8-10-42-11-9-37/h12-18,22H,4-11H2,1-3H3,(H,33,34,35)
InChIKeyFPALSRODMMTMSL-UHFFFAOYSA-N
MW598.66 g/mol
LogP5.20
Rot. Bonds7

About 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 153289434) has the molecular formula C32H34N6O6 and a molecular weight of 598.66 g/mol. Its IUPAC name is 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID153289434
Molecular FormulaC32H34N6O6
Molecular Weight598.66 g/mol
Exact Mass598.25
IUPAC Name7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc(-c2coc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C32H34N6O6/c1-36(2)31(40)25-14-20-17-33-32(35-30(20)38(25)22-6-4-5-7-22)34-21-12-19(13-23(15-21)41-3)24-18-43-29-26(39)16-27(44-28(24)29)37-8-10-42-11-9-37/h12-18,22H,4-11H2,1-3H3,(H,33,34,35)
InChIKeyFPALSRODMMTMSL-UHFFFAOYSA-N
XLogP5.20
TPSA128.10 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500598.66
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzoate
CID 151417553
8-[5-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-6-hydroxy-2-morpholin-4-ylchromen-4-one;ethane
CID 172621453
7-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-morpholin-4-ylpyrano[3,2-b]pyridin-4-one;propane
CID 172621538
2-(4-acetamidoanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155437
bis(3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one);2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-[(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-isocyanato-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-carboxylic acid;hydrate
CID 159583570
7-cyclopentyl-2-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 135275912
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
2-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146244200
7-[4-[(6-acetyl-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]-2-piperazin-1-ylchromen-4-one;butane;ethane
CID 172621464
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
7-cyclopentyl-N,N-dimethyl-2-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 126538869

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 153289434) is 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is COc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc(-c2coc3c(=O)cc(N4CCOCC4)oc23)c1.
What is the InChIKey of 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FPALSRODMMTMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O6/c1-36(2)31(40)25-14-20-17-33-32(35-30(20)38(25)22-6-4-5-7-22)34-21-12-19(13-23(15-21)41-3)24-18-43-29-26(39)16-27(44-28(24)29)37-8-10-42-11-9-37/h12-18,22H,4-11H2,1-3H3,(H,33,34,35).
What are the key properties of 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 598.66 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[3-methoxy-5-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 153289434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).