[4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol

C24H28N6O — CID 156730099

IUPAC[4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCNc1ccc2ccc(CCC3CCC(n4cc(CO)c5c(N)ncnc54)C3)cc2n1
InChIInChI=1S/C24H28N6O/c1-26-21-9-7-17-6-4-16(11-20(17)29-21)3-2-15-5-8-19(10-15)30-12-18(13-31)22-23(25)27-14-28-24(22)30/h4,6-7,9,11-12,14-15,19,31H,2-3,5,8,10,13H2,1H3,(H,26,29)(H2,25,27,28)
InChIKeyLOEZOGUQYKJKCW-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.07
Rot. Bonds6

About [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol

[4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 156730099) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol
PubChem CID156730099
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name[4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCNc1ccc2ccc(CCC3CCC(n4cc(CO)c5c(N)ncnc54)C3)cc2n1
InChIInChI=1S/C24H28N6O/c1-26-21-9-7-17-6-4-16(11-20(17)29-21)3-2-15-5-8-19(10-15)30-12-18(13-31)22-23(25)27-14-28-24(22)30/h4,6-7,9,11-12,14-15,19,31H,2-3,5,8,10,13H2,1H3,(H,26,29)(H2,25,27,28)
InChIKeyLOEZOGUQYKJKCW-UHFFFAOYSA-N
XLogP4.07
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 145263806
N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 166776430
(1R,2S,3R,5S)-3-(4-amino-5-cyclohexylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentane-1,2-diol
CID 166630828
N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 155175220
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclobutylquinolin-2-amine;propane-2,2-diol
CID 145263938
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine;propane-2,2-diol
CID 145263868
N-(2-fluoroethyl)-7-[2-[3-(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]quinolin-2-amine
CID 170081026
(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[2-[2-(cyclopropylmethylamino)quinolin-7-yl]ethyl]cyclopentan-1-ol
CID 170295808
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
CID 155732209
CID 155732209

Frequently Asked Questions

What is the IUPAC name of [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The IUPAC name of [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 156730099) is [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol is CNc1ccc2ccc(CCC3CCC(n4cc(CO)c5c(N)ncnc54)C3)cc2n1.
What is the InChIKey of [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The InChIKey is LOEZOGUQYKJKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-26-21-9-7-17-6-4-16(11-20(17)29-21)3-2-15-5-8-19(10-15)30-12-18(13-31)22-23(25)27-14-28-24(22)30/h4,6-7,9,11-12,14-15,19,31H,2-3,5,8,10,13H2,1H3,(H,26,29)(H2,25,27,28).
What are the key properties of [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol?
[4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 416.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-7-[3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 156730099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).