7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine

C23H25BrN6 — CID 167150393

IUPAC7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine
SMILESCC(Cc1ccc2cc(Br)c(N)nc2c1)C1CCC(n2ccc3c(N)ncnc32)C1
InChIInChI=1S/C23H25BrN6/c1-13(8-14-2-3-16-11-19(24)22(26)29-20(16)9-14)15-4-5-17(10-15)30-7-6-18-21(25)27-12-28-23(18)30/h2-3,6-7,9,11-13,15,17H,4-5,8,10H2,1H3,(H2,26,29)(H2,25,27,28)
InChIKeyWAURLHXICJOILN-UHFFFAOYSA-N
MW465.40 g/mol
LogP5.13
Rot. Bonds4

About 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine

7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine (PubChem CID 167150393) has the molecular formula C23H25BrN6 and a molecular weight of 465.40 g/mol. Its IUPAC name is 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine.

Molecular Properties

Compound Name7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine
PubChem CID167150393
Molecular FormulaC23H25BrN6
Molecular Weight465.40 g/mol
Exact Mass464.13
IUPAC Name7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine
SMILESCC(Cc1ccc2cc(Br)c(N)nc2c1)C1CCC(n2ccc3c(N)ncnc32)C1
InChIInChI=1S/C23H25BrN6/c1-13(8-14-2-3-16-11-19(24)22(26)29-20(16)9-14)15-4-5-17(10-15)30-7-6-18-21(25)27-12-28-23(18)30/h2-3,6-7,9,11-13,15,17H,4-5,8,10H2,1H3,(H2,26,29)(H2,25,27,28)
InChIKeyWAURLHXICJOILN-UHFFFAOYSA-N
XLogP5.13
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.40
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2R,3R,5R)-3-[1-(2-amino-3-bromoquinolin-7-yl)propan-2-yl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynylcyclopentane-1,2-diol
CID 138748179
(1R,2R,4S)-4-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentan-1-ol
CID 170402952
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
(1R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopent-3-ene-1,2-diol
CID 175486863
7-[[(3aR,6R,6aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethylspiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4,3'-cyclobutane]-1'-yl]methyl]-3-bromoquinolin-2-amine
CID 155334533
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
(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)methyl]-2-(4-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
CID 146346367
7-[3-[2-(3-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 138713003
(2R,3S,4R,5S,8S)-8-(2-amino-3-bromoquinolin-7-yl)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)spiro[4.4]nonane-3,4-diol
CID 155158366
7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
(1S,2R,3aR,4S,6aR)-4-[(2-amino-3-bromoquinolin-7-yl)methyl]-2-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol
CID 156705398
7-[3-[2-[(2S)-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 138712581

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine?
The IUPAC name of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine (CID 167150393) is 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine.
What is the SMILES notation for 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine?
The canonical SMILES for 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine is CC(Cc1ccc2cc(Br)c(N)nc2c1)C1CCC(n2ccc3c(N)ncnc32)C1.
What is the InChIKey of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine?
The InChIKey is WAURLHXICJOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN6/c1-13(8-14-2-3-16-11-19(24)22(26)29-20(16)9-14)15-4-5-17(10-15)30-7-6-18-21(25)27-12-28-23(18)30/h2-3,6-7,9,11-13,15,17H,4-5,8,10H2,1H3,(H2,26,29)(H2,25,27,28).
What are the key properties of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine?
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine has a molecular weight of 465.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]propyl]-3-bromoquinolin-2-amine is sourced from PubChem (CID 167150393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).