8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one

C25H29N7O — CID 138712551

IUPAC8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESCC1(C)Cn2c(nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)C4)ccc3c2=O)N1
InChIInChI=1S/C25H29N7O/c1-25(2)13-32-23(33)18-8-6-16(12-20(18)29-24(32)30-25)4-3-15-5-7-17(11-15)31-10-9-19-21(26)27-14-28-22(19)31/h6,8-10,12,14-15,17H,3-5,7,11,13H2,1-2H3,(H,29,30)(H2,26,27,28)
InChIKeyWXFIXDJMQGIABB-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.90
Rot. Bonds4

About 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one

8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one (PubChem CID 138712551) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one
PubChem CID138712551
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESCC1(C)Cn2c(nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)C4)ccc3c2=O)N1
InChIInChI=1S/C25H29N7O/c1-25(2)13-32-23(33)18-8-6-16(12-20(18)29-24(32)30-25)4-3-15-5-7-17(11-15)31-10-9-19-21(26)27-14-28-22(19)31/h6,8-10,12,14-15,17H,3-5,7,11,13H2,1-2H3,(H,29,30)(H2,26,27,28)
InChIKeyWXFIXDJMQGIABB-UHFFFAOYSA-N
XLogP3.90
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one (CID 138712551) is 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one is CC1(C)Cn2c(nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)C4)ccc3c2=O)N1.
What is the InChIKey of 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The InChIKey is WXFIXDJMQGIABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-25(2)13-32-23(33)18-8-6-16(12-20(18)29-24(32)30-25)4-3-15-5-7-17(11-15)31-10-9-19-21(26)27-14-28-22(19)31/h6,8-10,12,14-15,17H,3-5,7,11,13H2,1-2H3,(H,29,30)(H2,26,27,28).
What are the key properties of 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one?
8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one has a molecular weight of 443.56 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 138712551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).