7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

C26H30N6 — CID 155362929

IUPAC7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(C)Cc2cc3ccc(CCC4CCC(n5ccc6c(N)ncnc65)C4)cc3nc2N1
InChIInChI=1S/C26H30N6/c1-26(2)14-19-13-18-7-5-17(12-22(18)30-24(19)31-26)4-3-16-6-8-20(11-16)32-10-9-21-23(27)28-15-29-25(21)32/h5,7,9-10,12-13,15-16,20H,3-4,6,8,11,14H2,1-2H3,(H,30,31)(H2,27,28,29)
InChIKeyXFBSBDOGKZJVPB-UHFFFAOYSA-N
MW426.57 g/mol
LogP5.28
Rot. Bonds4

About 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155362929) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155362929
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(C)Cc2cc3ccc(CCC4CCC(n5ccc6c(N)ncnc65)C4)cc3nc2N1
InChIInChI=1S/C26H30N6/c1-26(2)14-19-13-18-7-5-17(12-22(18)30-24(19)31-26)4-3-16-6-8-20(11-16)32-10-9-21-23(27)28-15-29-25(21)32/h5,7,9-10,12-13,15-16,20H,3-4,6,8,11,14H2,1-2H3,(H,30,31)(H2,27,28,29)
InChIKeyXFBSBDOGKZJVPB-UHFFFAOYSA-N
XLogP5.28
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 155362929) is 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is CC1(C)Cc2cc3ccc(CCC4CCC(n5ccc6c(N)ncnc65)C4)cc3nc2N1.
What is the InChIKey of 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XFBSBDOGKZJVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-26(2)14-19-13-18-7-5-17(12-22(18)30-24(19)31-26)4-3-16-6-8-20(11-16)32-10-9-21-23(27)28-15-29-25(21)32/h5,7,9-10,12-13,15-16,20H,3-4,6,8,11,14H2,1-2H3,(H,30,31)(H2,27,28,29).
What are the key properties of 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 426.57 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155362929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).